7-chloro-5-(methanesulfonyl)-N-[2-methyl-6-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
7-chloro-5-(methanesulfonyl)-N-[2-methyl-6-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
7-chloro-5-(methanesulfonyl)-N-[2-methyl-6-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1386 |
| Compound Name: | 7-chloro-5-(methanesulfonyl)-N-[2-methyl-6-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 436.96 |
| Molecular Formula: | C21 H25 Cl N2 O4 S |
| Smiles: | CC(C)c1cccc(C)c1NC(C1CCN(c2cc(ccc2O1)[Cl])S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6771 |
| logD: | 3.6771 |
| logSw: | -3.9871 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.249 |
| InChI Key: | PXZJUIYBBVRHER-LJQANCHMSA-N |