{3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}(3,4,5-trimethoxyphenyl)methanone
Chemical Structure Depiction of
{3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}(3,4,5-trimethoxyphenyl)methanone
{3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}(3,4,5-trimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | 3335-0246 |
| Compound Name: | {3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}(3,4,5-trimethoxyphenyl)methanone |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C21 H21 N3 O6 S |
| Smiles: | Cc1c(c(C)n(C(c2cc(c(c(c2)OC)OC)OC)=O)n1)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1103 |
| logD: | 3.1103 |
| logSw: | -3.5551 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.639 |
| InChI Key: | CTCOAJOTESPMSW-UHFFFAOYSA-N |