{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}(4-nitrophenyl)methanone
Chemical Structure Depiction of
{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}(4-nitrophenyl)methanone
{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}(4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | 3335-0131 |
| Compound Name: | {3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}(4-nitrophenyl)methanone |
| Molecular Weight: | 367.42 |
| Molecular Formula: | C19 H17 N3 O3 S |
| Smiles: | Cc1ccc(cc1)Sc1c(C)nn(C(c2ccc(cc2)[N+]([O-])=O)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.0154 |
| logD: | 4.0154 |
| logSw: | -4.1052 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.962 |
| InChI Key: | SCBUYVBWOVTWJT-UHFFFAOYSA-N |