N-cyclopropyl-N-{[(3S)-3-methyl-4-(2-methylpyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Chemical Structure Depiction of
N-cyclopropyl-N-{[(3S)-3-methyl-4-(2-methylpyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
N-cyclopropyl-N-{[(3S)-3-methyl-4-(2-methylpyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Compound characteristics
| Compound ID: | S978-0642 |
| Compound Name: | N-cyclopropyl-N-{[(3S)-3-methyl-4-(2-methylpyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C22 H27 N3 O4 S |
| Smiles: | Cc1c(cccn1)C(N1Cc2cc(CN(C3CC3)S(C)(=O)=O)ccc2OC[C@@H]1C)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.718 |
| logD: | 2.7178 |
| logSw: | -3.3368 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.721 |
| InChI Key: | XPQCXVZYQZKNMH-OAHLLOKOSA-N |