N-cyclopropyl-N-({(3S)-3-methyl-4-[(4-methylphenyl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
Chemical Structure Depiction of
N-cyclopropyl-N-({(3S)-3-methyl-4-[(4-methylphenyl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
N-cyclopropyl-N-({(3S)-3-methyl-4-[(4-methylphenyl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
Compound characteristics
| Compound ID: | S978-1216 |
| Compound Name: | N-cyclopropyl-N-({(3S)-3-methyl-4-[(4-methylphenyl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C24 H30 N2 O4 S |
| Smiles: | Cc1ccc(CC(N2Cc3cc(CN(C4CC4)S(C)(=O)=O)ccc3OC[C@@H]2C)=O)cc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.9743 |
| logD: | 3.9743 |
| logSw: | -3.9851 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.569 |
| InChI Key: | YVKRPLVFMSVDPT-GOSISDBHSA-N |