N-cyclopropyl-N-({(3S)-4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
Chemical Structure Depiction of
N-cyclopropyl-N-({(3S)-4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
N-cyclopropyl-N-({(3S)-4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
Compound characteristics
| Compound ID: | S978-0627 |
| Compound Name: | N-cyclopropyl-N-({(3S)-4-[(3,5-difluorophenyl)methyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide |
| Molecular Weight: | 436.52 |
| Molecular Formula: | C22 H26 F2 N2 O3 S |
| Smiles: | C[C@H]1COc2ccc(CN(C3CC3)S(C)(=O)=O)cc2CN1Cc1cc(cc(c1)F)F |
| Stereo: | ABSOLUTE |
| logP: | 4.1779 |
| logD: | 3.7714 |
| logSw: | -4.2684 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.346 |
| InChI Key: | RTFRCJFDCCUFCD-OAHLLOKOSA-N |