N-cyclopropyl-N-({(3S)-4-[(1H-imidazol-1-yl)acetyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
Chemical Structure Depiction of
N-cyclopropyl-N-({(3S)-4-[(1H-imidazol-1-yl)acetyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
N-cyclopropyl-N-({(3S)-4-[(1H-imidazol-1-yl)acetyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
Compound characteristics
| Compound ID: | S978-0641 |
| Compound Name: | N-cyclopropyl-N-({(3S)-4-[(1H-imidazol-1-yl)acetyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C20 H26 N4 O4 S |
| Smiles: | C[C@H]1COc2ccc(CN(C3CC3)S(C)(=O)=O)cc2CN1C(Cn1ccnc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.4377 |
| logD: | 1.274 |
| logSw: | -2.1887 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.391 |
| InChI Key: | HMRHOERKRGHHAG-OAHLLOKOSA-N |