[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl](4-nitrophenyl)methanone
Chemical Structure Depiction of
[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl](4-nitrophenyl)methanone
[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl](4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | 3335-0103 |
| Compound Name: | [3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl](4-nitrophenyl)methanone |
| Molecular Weight: | 353.4 |
| Molecular Formula: | C18 H15 N3 O3 S |
| Smiles: | Cc1c(c(C)n(C(c2ccc(cc2)[N+]([O-])=O)=O)n1)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.407 |
| logD: | 3.407 |
| logSw: | -3.8355 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.962 |
| InChI Key: | HFAMDDKLOGATNW-UHFFFAOYSA-N |