N-cyclopropyl-N-({(3S)-4-[(4-fluorophenyl)acetyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
Chemical Structure Depiction of
N-cyclopropyl-N-({(3S)-4-[(4-fluorophenyl)acetyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
N-cyclopropyl-N-({(3S)-4-[(4-fluorophenyl)acetyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
Compound characteristics
| Compound ID: | S978-1174 |
| Compound Name: | N-cyclopropyl-N-({(3S)-4-[(4-fluorophenyl)acetyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide |
| Molecular Weight: | 446.54 |
| Molecular Formula: | C23 H27 F N2 O4 S |
| Smiles: | C[C@H]1COc2ccc(CN(C3CC3)S(C)(=O)=O)cc2CN1C(Cc1ccc(cc1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.5799 |
| logD: | 3.5799 |
| logSw: | -3.733 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.569 |
| InChI Key: | PGFIGFQICUUQNF-MRXNPFEDSA-N |