5-(methanesulfonyl)-N-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
5-(methanesulfonyl)-N-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
5-(methanesulfonyl)-N-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0074 |
| Compound Name: | 5-(methanesulfonyl)-N-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 414.4 |
| Molecular Formula: | C18 H17 F3 N2 O4 S |
| Smiles: | CS(N1CCC(C(Nc2cccc(c2)C(F)(F)F)=O)Oc2ccccc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3422 |
| logD: | 3.3405 |
| logSw: | -3.8029 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.644 |
| InChI Key: | RZWRZIFUTHQYJN-MRXNPFEDSA-N |