N-cyclopropyl-N-({(3S)-3-methyl-4-[(2-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-[(2-methylphenyl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
N-cyclopropyl-N-({(3S)-3-methyl-4-[(2-methylphenyl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
Compound characteristics
| Compound ID: | S978-0669 |
| Compound Name: | N-cyclopropyl-N-({(3S)-3-methyl-4-[(2-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: | Cc1ccccc1CC(N1Cc2cc(CN(C3CC3)S(C)(=O)=O)ccc2OC[C@@H]1C)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.3077 |
| logD: | 4.3077 |
| logSw: | -4.3512 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.569 |
| InChI Key: | GIYSPHCNYVRXMM-GOSISDBHSA-N |