N-[2-(benzylcarbamoyl)phenyl]-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-[2-(benzylcarbamoyl)phenyl]-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-[2-(benzylcarbamoyl)phenyl]-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0137 |
| Compound Name: | N-[2-(benzylcarbamoyl)phenyl]-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C25 H25 N3 O5 S |
| Smiles: | CS(N1CCC(C(Nc2ccccc2C(NCc2ccccc2)=O)=O)Oc2ccccc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1224 |
| logD: | 3.1215 |
| logSw: | -3.823 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.36 |
| InChI Key: | IKTBETSZGRAEEI-HSZRJFAPSA-N |