1-[(3S)-7-(3-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-[(3S)-7-(3-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one
1-[(3S)-7-(3-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | SC09-0091 |
| Compound Name: | 1-[(3S)-7-(3-fluorophenyl)-3-methyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C23 H24 F N3 O2 |
| Smiles: | Cc1cnn(CCC(N2Cc3cc(ccc3OC[C@@H]2C)c2cccc(c2)F)=O)c1 |
| Stereo: | ABSOLUTE |
| logP: | 4.2833 |
| logD: | 4.2833 |
| logSw: | -4.2498 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.57 |
| InChI Key: | MWIRIEMOKNWKRX-QGZVFWFLSA-N |