N-(3-chloro-4-fluorophenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-(3-chloro-4-fluorophenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0131 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 398.84 |
| Molecular Formula: | C17 H16 Cl F N2 O4 S |
| Smiles: | CS(N1CCC(C(Nc2ccc(c(c2)[Cl])F)=O)Oc2ccccc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0291 |
| logD: | 2.9989 |
| logSw: | -3.5537 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.644 |
| InChI Key: | VTUAUWRQWSSLPA-INIZCTEOSA-N |