{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}(3,4,5-trimethoxyphenyl)methanone
Chemical Structure Depiction of
{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}(3,4,5-trimethoxyphenyl)methanone
{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}(3,4,5-trimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | 5067-4401 |
| Compound Name: | {3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}(3,4,5-trimethoxyphenyl)methanone |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C22 H24 N2 O4 S |
| Smiles: | Cc1ccc(cc1)Sc1c(C)nn(C(c2cc(c(c(c2)OC)OC)OC)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 3.8048 |
| logD: | 3.8048 |
| logSw: | -3.997 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.559 |
| InChI Key: | MLVCHRXAJUDGTD-UHFFFAOYSA-N |