7-chloro-N-[4-(cyanomethyl)phenyl]-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
7-chloro-N-[4-(cyanomethyl)phenyl]-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
7-chloro-N-[4-(cyanomethyl)phenyl]-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1345 |
| Compound Name: | 7-chloro-N-[4-(cyanomethyl)phenyl]-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 419.89 |
| Molecular Formula: | C19 H18 Cl N3 O4 S |
| Smiles: | CS(N1CCC(C(Nc2ccc(CC#N)cc2)=O)Oc2ccc(cc12)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3137 |
| logD: | 2.3136 |
| logSw: | -3.4152 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.136 |
| InChI Key: | YFONJHZMKVQJIE-GOSISDBHSA-N |