5-(methanesulfonyl)-7-methyl-N-{2-[(2-methylpropyl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
5-(methanesulfonyl)-7-methyl-N-{2-[(2-methylpropyl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
5-(methanesulfonyl)-7-methyl-N-{2-[(2-methylpropyl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0617 |
| Compound Name: | 5-(methanesulfonyl)-7-methyl-N-{2-[(2-methylpropyl)carbamoyl]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 459.56 |
| Molecular Formula: | C23 H29 N3 O5 S |
| Smiles: | CC(C)CNC(c1ccccc1NC(C1CCN(c2cc(C)ccc2O1)S(C)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1651 |
| logD: | 3.1635 |
| logSw: | -3.6591 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.631 |
| InChI Key: | DMISJDHPDCPHEF-OAQYLSRUSA-N |