TL;DR: N-(3-methoxyphenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide (CAS 862487-05-6) is a chemical compound with molecular formula C32H31N3O2 and molecular weight 489.24164 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-methoxyphenyl)-2,6-bis(4-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: N-(3-methoxyphenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide, N-(3-methoxyphenyl)-1,4-di-p-tolyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
| Molecular Formula | C32H31N3O2 |
| Molecular Weight | 489.24164 g/mol |
| XLogP | 7.4 |
| Topological Polar Surface Area (TPSA) | 47.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.24164 Da |
| Heavy Atoms | 37 |
| Complexity | 774.0 |
| SMILES | CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)C)C(=O)NC6=CC(=CC=C6)OC |
| InChIKey | CHIHUHIJZIMSCI-UHFFFAOYSA-N |
The XLogP value of 7.4 indicates that N-(3-methoxyphenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.7 Ų, N-(3-methoxyphenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-methoxyphenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(3-methoxyphenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is 862487-05-6.
The molecular formula of N-(3-methoxyphenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is C32H31N3O2.
The molecular weight of N-(3-methoxyphenyl)-1,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide is 489.24164 g/mol.
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