N-cyclopropyl-N-{[(3S)-4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Chemical Structure Depiction of
N-cyclopropyl-N-{[(3S)-4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
N-cyclopropyl-N-{[(3S)-4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Compound characteristics
| Compound ID: | S978-0703 |
| Compound Name: | N-cyclopropyl-N-{[(3S)-4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C21 H28 N4 O4 S |
| Smiles: | Cc1c(cn(C)n1)C(N1Cc2cc(CN(C3CC3)S(C)(=O)=O)ccc2OC[C@@H]1C)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.917 |
| logD: | 1.917 |
| logSw: | -2.793 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.258 |
| InChI Key: | HCHWUQSARCSNAR-CQSZACIVSA-N |