7-chloro-5-(methanesulfonyl)-N-[2-(methylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
7-chloro-5-(methanesulfonyl)-N-[2-(methylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
7-chloro-5-(methanesulfonyl)-N-[2-(methylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1391 |
| Compound Name: | 7-chloro-5-(methanesulfonyl)-N-[2-(methylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 426.94 |
| Molecular Formula: | C18 H19 Cl N2 O4 S2 |
| Smiles: | CSc1ccccc1NC(C1CCN(c2cc(ccc2O1)[Cl])S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2352 |
| logD: | 3.2352 |
| logSw: | -3.6445 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.946 |
| InChI Key: | VUCFXSYKZVJFNC-MRXNPFEDSA-N |