N-cyclopropyl-N-({(3S)-3-methyl-4-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
Chemical Structure Depiction of
N-cyclopropyl-N-({(3S)-3-methyl-4-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
N-cyclopropyl-N-({(3S)-3-methyl-4-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
Compound characteristics
| Compound ID: | S978-0696 |
| Compound Name: | N-cyclopropyl-N-({(3S)-3-methyl-4-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C22 H30 N4 O4 S |
| Smiles: | Cc1cnn(CCC(N2Cc3cc(CN(C4CC4)S(C)(=O)=O)ccc3OC[C@@H]2C)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 2.2733 |
| logD: | 2.2733 |
| logSw: | -2.7063 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.324 |
| InChI Key: | BVNWEMJXGCYZCB-QGZVFWFLSA-N |