N-[2-(tert-butylcarbamoyl)phenyl]-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-[2-(tert-butylcarbamoyl)phenyl]-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-[2-(tert-butylcarbamoyl)phenyl]-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1410 |
| Compound Name: | N-[2-(tert-butylcarbamoyl)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: | CC(C)(C)NC(c1ccccc1NC(C1CCN(c2cc(ccc2O1)[Cl])S(C)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1795 |
| logD: | 3.1779 |
| logSw: | -3.7456 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.455 |
| InChI Key: | KCAQXKIYHCVWPU-LJQANCHMSA-N |