N-{2-[(butan-2-yl)carbamoyl]phenyl}-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-{2-[(butan-2-yl)carbamoyl]phenyl}-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-{2-[(butan-2-yl)carbamoyl]phenyl}-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1365 |
| Compound Name: | N-{2-[(butan-2-yl)carbamoyl]phenyl}-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 479.98 |
| Molecular Formula: | C22 H26 Cl N3 O5 S |
| Smiles: | CCC(C)NC(c1ccccc1NC(C1CCN(c2cc(ccc2O1)[Cl])S(C)(=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9947 |
| logD: | 2.9932 |
| logSw: | -3.7323 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.073 |
| InChI Key: | VVRBDXIHUBAHBO-UHFFFAOYSA-N |