7-chloro-N-(3,4-difluorophenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
7-chloro-N-(3,4-difluorophenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
7-chloro-N-(3,4-difluorophenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1393 |
| Compound Name: | 7-chloro-N-(3,4-difluorophenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 416.83 |
| Molecular Formula: | C17 H15 Cl F2 N2 O4 S |
| Smiles: | CS(N1CCC(C(Nc2ccc(c(c2)F)F)=O)Oc2ccc(cc12)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2377 |
| logD: | 3.2075 |
| logSw: | -3.7279 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.644 |
| InChI Key: | ZTKQRROUXNFAKH-MRXNPFEDSA-N |