N-cyclopropyl-N-{[(3S)-3-methyl-4-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Chemical Structure Depiction of
N-cyclopropyl-N-{[(3S)-3-methyl-4-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
N-cyclopropyl-N-{[(3S)-3-methyl-4-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Compound characteristics
| Compound ID: | S978-0700 |
| Compound Name: | N-cyclopropyl-N-{[(3S)-3-methyl-4-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide |
| Molecular Weight: | 432.58 |
| Molecular Formula: | C22 H32 N4 O3 S |
| Smiles: | CC(C)n1cc(CN2Cc3cc(CN(C4CC4)S(C)(=O)=O)ccc3OC[C@@H]2C)cn1 |
| Stereo: | ABSOLUTE |
| logP: | 2.862 |
| logD: | -3.2124 |
| logSw: | -3.1158 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.307 |
| InChI Key: | VMQYGXZYSHGNHX-QGZVFWFLSA-N |