TL;DR: BAS 03204156 (CAS 491645-02-4) is a chemical compound with molecular formula C20H22N4O3S and molecular weight 398.14127 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
Also Known As: BAS 03204156, 2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide, 2-((4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-methoxyphenyl)acetamide, 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide, 2-[4-ethyl-5-(phenoxymethyl)(1,2,4-triazol-3-ylthio)]-N-(4-methoxyphenyl)aceta mide
| Molecular Formula | C20H22N4O3S |
| Molecular Weight | 398.14127 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 398.14127 Da |
| Heavy Atoms | 28 |
| Complexity | 470.0 |
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)COC3=CC=CC=C3 |
| InChIKey | LSAMWQHABULTOU-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03204156. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03204156. Following Lipinski's Rule of Five, BAS 03204156 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BAS 03204156 is 491645-02-4.
The molecular formula of BAS 03204156 is C20H22N4O3S.
The molecular weight of BAS 03204156 is 398.14127 g/mol.
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