4-[(4-chlorophenyl)sulfanyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl butanoate
Chemical Structure Depiction of
4-[(4-chlorophenyl)sulfanyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl butanoate
4-[(4-chlorophenyl)sulfanyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl butanoate
Compound characteristics
| Compound ID: | C100-0209 |
| Compound Name: | 4-[(4-chlorophenyl)sulfanyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl butanoate |
| Molecular Weight: | 386.9 |
| Molecular Formula: | C20 H19 Cl N2 O2 S |
| Smiles: | CCCC(=O)Oc1c(c(C)nn1c1ccccc1)Sc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4411 |
| logD: | 5.4411 |
| logSw: | -5.8277 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.955 |
| InChI Key: | QLAJCJIKRQIHSK-UHFFFAOYSA-N |