{4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}(3,4,5-trimethoxyphenyl)methanone
Chemical Structure Depiction of
{4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}(3,4,5-trimethoxyphenyl)methanone
{4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}(3,4,5-trimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | 5795-0040 |
| Compound Name: | {4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}(3,4,5-trimethoxyphenyl)methanone |
| Molecular Weight: | 432.92 |
| Molecular Formula: | C21 H21 Cl N2 O4 S |
| Smiles: | Cc1c(c(C)n(C(c2cc(c(c(c2)OC)OC)OC)=O)n1)Sc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9762 |
| logD: | 3.9762 |
| logSw: | -4.4819 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.559 |
| InChI Key: | QXJJMUPDMGPDAU-UHFFFAOYSA-N |