7-chloro-5-(methanesulfonyl)-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
7-chloro-5-(methanesulfonyl)-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
7-chloro-5-(methanesulfonyl)-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1330 |
| Compound Name: | 7-chloro-5-(methanesulfonyl)-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 408.9 |
| Molecular Formula: | C19 H21 Cl N2 O4 S |
| Smiles: | Cc1ccc(CNC(C2CCN(c3cc(ccc3O2)[Cl])S(C)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8217 |
| logD: | 2.8217 |
| logSw: | -3.5727 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.966 |
| InChI Key: | YTWMIMPDOSTEGT-GOSISDBHSA-N |