1-{3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-phenylethan-1-one
Chemical Structure Depiction of
1-{3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-phenylethan-1-one
1-{3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-phenylethan-1-one
Compound characteristics
| Compound ID: | 3335-0254 |
| Compound Name: | 1-{3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-phenylethan-1-one |
| Molecular Weight: | 367.42 |
| Molecular Formula: | C19 H17 N3 O3 S |
| Smiles: | Cc1c(c(C)n(C(Cc2ccccc2)=O)n1)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4354 |
| logD: | 3.4334 |
| logSw: | -3.8445 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.134 |
| InChI Key: | GYKPLQIKAMWKHY-UHFFFAOYSA-N |