N-cyclopropyl-N-{[(3S)-3-methyl-4-(1H-pyrazole-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-(1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
N-cyclopropyl-N-{[(3S)-3-methyl-4-(1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Compound characteristics
| Compound ID: | S978-0637 |
| Compound Name: | N-cyclopropyl-N-{[(3S)-3-methyl-4-(1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C19 H24 N4 O4 S |
| Smiles: | C[C@H]1COc2ccc(CN(C3CC3)S(C)(=O)=O)cc2CN1C(c1cc[nH]n1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0206 |
| logD: | 2.0206 |
| logSw: | -2.922 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.697 |
| InChI Key: | KJSWDTAHNHHAPD-CYBMUJFWSA-N |