{3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}(pyridin-4-yl)methanone
Chemical Structure Depiction of
{3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}(pyridin-4-yl)methanone
{3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}(pyridin-4-yl)methanone
Compound characteristics
| Compound ID: | 5795-0113 |
| Compound Name: | {3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}(pyridin-4-yl)methanone |
| Molecular Weight: | 354.39 |
| Molecular Formula: | C17 H14 N4 O3 S |
| Smiles: | Cc1c(c(C)n(C(c2ccncc2)=O)n1)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1462 |
| logD: | 2.1461 |
| logSw: | -2.1517 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.09 |
| InChI Key: | ZSGGRRJEZMRXEY-UHFFFAOYSA-N |