4-[({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)methylidene]-2-(4-fluorophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)methylidene]-2-(4-fluorophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
4-[({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)methylidene]-2-(4-fluorophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8012-6901 |
| Compound Name: | 4-[({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)methylidene]-2-(4-fluorophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 417.93 |
| Molecular Formula: | C21 H21 Cl F N3 O S |
| Smiles: | CCCC1/C(=C/NCCSc2ccc(cc2)[Cl])C(N(c2ccc(cc2)F)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.565 |
| logD: | 4.5537 |
| logSw: | -4.6635 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.291 |
| InChI Key: | XTGHAHWUJHCDBC-UHFFFAOYSA-N |