4-[(4-chlorophenyl)sulfanyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl 2-methylpropanoate
Chemical Structure Depiction of
4-[(4-chlorophenyl)sulfanyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl 2-methylpropanoate
4-[(4-chlorophenyl)sulfanyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl 2-methylpropanoate
Compound characteristics
| Compound ID: | C100-0206 |
| Compound Name: | 4-[(4-chlorophenyl)sulfanyl]-3-methyl-1-phenyl-1H-pyrazol-5-yl 2-methylpropanoate |
| Molecular Weight: | 386.9 |
| Molecular Formula: | C20 H19 Cl N2 O2 S |
| Smiles: | CC(C)C(=O)Oc1c(c(C)nn1c1ccccc1)Sc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4437 |
| logD: | 5.4437 |
| logSw: | -5.9411 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.55 |
| InChI Key: | FUCVBNDTKJEPNR-UHFFFAOYSA-N |