4-[(2-chloropyridin-3-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-[(2-chloropyridin-3-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-[(2-chloropyridin-3-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0098 |
| Compound Name: | 4-[(2-chloropyridin-3-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 421.93 |
| Molecular Formula: | C24 H24 Cl N3 O2 |
| Smiles: | Cc1ccc(CNC(c2ccc3c(CN(CCO3)Cc3cccnc3[Cl])c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0499 |
| logD: | 4.0422 |
| logSw: | -4.4145 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.014 |
| InChI Key: | AIGSZONRIZZNFK-UHFFFAOYSA-N |