2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | 5311-0284 |
| Compound Name: | 2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 461.51 |
| Molecular Formula: | C25 H20 F N3 O3 S |
| Smiles: | [H]C(C(N1C(CC(c2ccc(cc2)OC)=N1)c1ccc(cc1)F)=O)Sc1nc2ccccc2o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7354 |
| logD: | 5.7354 |
| logSw: | -5.5944 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.794 |
| InChI Key: | VNLZXMUINLWEAD-QFIPXVFZSA-N |