N-cyclopropyl-N-({(3S)-4-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-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-pyrazol-5-yl)methyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
N-cyclopropyl-N-({(3S)-4-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
Compound characteristics
| Compound ID: | S978-0702 |
| Compound Name: | N-cyclopropyl-N-({(3S)-4-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C21 H30 N4 O3 S |
| Smiles: | Cc1cc(CN2Cc3cc(CN(C4CC4)S(C)(=O)=O)ccc3OC[C@@H]2C)n(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.0451 |
| logD: | 0.4871 |
| logSw: | -2.5719 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.149 |
| InChI Key: | WXJYQFLDPZSZRS-MRXNPFEDSA-N |