4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0081 |
| Compound Name: | 4-[(2,5-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)Cc3cc(ccc3OC)OC)c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4925 |
| logD: | 3.5256 |
| logSw: | -4.2641 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.503 |
| InChI Key: | XJVSNBRVHCTEKH-UHFFFAOYSA-N |