{3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}(thiophen-2-yl)methanone
Chemical Structure Depiction of
{3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}(thiophen-2-yl)methanone
{3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}(thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | 5795-0104 |
| Compound Name: | {3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}(thiophen-2-yl)methanone |
| Molecular Weight: | 359.42 |
| Molecular Formula: | C16 H13 N3 O3 S2 |
| Smiles: | Cc1c(c(C)n(C(c2cccs2)=O)n1)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2838 |
| logD: | 3.2838 |
| logSw: | -3.7174 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.68 |
| InChI Key: | GIJVBOOWZYGTTN-UHFFFAOYSA-N |