N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0115 |
| Compound Name: | N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 448.85 |
| Molecular Formula: | C18 H16 Cl F3 N2 O4 S |
| Smiles: | CS(N1CCC(C(Nc2ccc(c(c2)C(F)(F)F)[Cl])=O)Oc2ccccc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9062 |
| logD: | 3.8119 |
| logSw: | -4.3333 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.644 |
| InChI Key: | BFFDDYXSQOECJW-INIZCTEOSA-N |