4-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0099 |
| Compound Name: | 4-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C27 H30 N2 O4 |
| Smiles: | Cc1ccc(CNC(c2ccc3c(CN(CCO3)Cc3ccc(c(c3)OC)OC)c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9806 |
| logD: | 3.2579 |
| logSw: | -3.9921 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.589 |
| InChI Key: | CPEMIAJRHTUCDV-UHFFFAOYSA-N |