N-cyclopropyl-N-{[(3S)-3-methyl-4-(pyridine-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Chemical Structure Depiction of
N-cyclopropyl-N-{[(3S)-3-methyl-4-(pyridine-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
N-cyclopropyl-N-{[(3S)-3-methyl-4-(pyridine-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Compound characteristics
| Compound ID: | S978-0657 |
| Compound Name: | N-cyclopropyl-N-{[(3S)-3-methyl-4-(pyridine-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C21 H25 N3 O4 S |
| Smiles: | C[C@H]1COc2ccc(CN(C3CC3)S(C)(=O)=O)cc2CN1C(c1ccccn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.4915 |
| logD: | 2.4915 |
| logSw: | -2.7936 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.144 |
| InChI Key: | VECGDAYQBQCPKV-OAHLLOKOSA-N |