4-{[4-(dimethylamino)phenyl]methyl}-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-{[4-(dimethylamino)phenyl]methyl}-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-{[4-(dimethylamino)phenyl]methyl}-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0119 |
| Compound Name: | 4-{[4-(dimethylamino)phenyl]methyl}-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C27 H31 N3 O2 |
| Smiles: | Cc1ccc(CNC(c2ccc3c(CN(CCO3)Cc3ccc(cc3)N(C)C)c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4976 |
| logD: | 4.4052 |
| logSw: | -4.2365 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.133 |
| InChI Key: | WJTAQRDDPPOQQT-UHFFFAOYSA-N |