(3S)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-7-(4-fluorophenyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
(3S)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-7-(4-fluorophenyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
(3S)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-7-(4-fluorophenyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | SC09-0127 |
| Compound Name: | (3S)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-7-(4-fluorophenyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 365.45 |
| Molecular Formula: | C22 H24 F N3 O |
| Smiles: | Cc1c(CN2Cc3cc(ccc3OC[C@@H]2C)c2ccc(cc2)F)cn(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 4.1296 |
| logD: | 0.4394 |
| logSw: | -4.2751 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.7543 |
| InChI Key: | QHCQLNKPEKUOBI-OAHLLOKOSA-N |