7-chloro-5-(methanesulfonyl)-N-[2-(phenylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
7-chloro-5-(methanesulfonyl)-N-[2-(phenylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
7-chloro-5-(methanesulfonyl)-N-[2-(phenylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1390 |
| Compound Name: | 7-chloro-5-(methanesulfonyl)-N-[2-(phenylsulfanyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 489.01 |
| Molecular Formula: | C23 H21 Cl N2 O4 S2 |
| Smiles: | CS(N1CCC(C(Nc2ccccc2Sc2ccccc2)=O)Oc2ccc(cc12)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.718 |
| logD: | 4.718 |
| logSw: | -4.7825 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.675 |
| InChI Key: | PKJDYIMLWKXAFJ-OAQYLSRUSA-N |