5-(methanesulfonyl)-N-[2-(methylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
5-(methanesulfonyl)-N-[2-(methylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
5-(methanesulfonyl)-N-[2-(methylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0169 |
| Compound Name: | 5-(methanesulfonyl)-N-[2-(methylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 392.49 |
| Molecular Formula: | C18 H20 N2 O4 S2 |
| Smiles: | CSc1ccccc1NC(C1CCN(c2ccccc2O1)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6531 |
| logD: | 2.6531 |
| logSw: | -3.2948 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.946 |
| InChI Key: | CJYLJCDTGOSAHX-MRXNPFEDSA-N |