TL;DR: N-(3-methoxyphenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide (CAS 848918-78-5) is a chemical compound with molecular formula C20H22N4O2S3 and molecular weight 446.09048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-methoxyphenyl)-2-[(11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetamide
Also Known As: N-(3-methoxyphenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide, N-(3-methoxyphenyl)-2-{[7-methyl-2-(methylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
| Molecular Formula | C20H22N4O2S3 |
| Molecular Weight | 446.09048 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.09048 Da |
| Heavy Atoms | 29 |
| Complexity | 572.0 |
| SMILES | CN1CCC2=C(C1)SC3=C2C(=NC(=N3)SC)SCC(=O)NC4=CC(=CC=C4)OC |
| InChIKey | JPSFPEBENGFCSZ-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that N-(3-methoxyphenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting N-(3-methoxyphenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(3-methoxyphenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(3-methoxyphenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide is 848918-78-5.
The molecular formula of N-(3-methoxyphenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide is C20H22N4O2S3.
The molecular weight of N-(3-methoxyphenyl)-2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamide is 446.09048 g/mol.
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