2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | SC09-0121 |
| Compound Name: | 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(3S)-7-(4-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C23 H24 F N3 O2 |
| Smiles: | Cc1cc(C)n(CC(N2Cc3cc(ccc3OC[C@@H]2C)c2ccc(cc2)F)=O)n1 |
| Stereo: | ABSOLUTE |
| logP: | 3.7517 |
| logD: | 3.7517 |
| logSw: | -4.0538 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.822 |
| InChI Key: | JXZRBPBUBUZZQP-QGZVFWFLSA-N |