1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-phenoxyethan-1-one
1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | 3335-0207 |
| Compound Name: | 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-phenoxyethan-1-one |
| Molecular Weight: | 383.42 |
| Molecular Formula: | C19 H17 N3 O4 S |
| Smiles: | Cc1c(c(C)n(C(COc2ccccc2)=O)n1)Sc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.295 |
| logD: | 3.295 |
| logSw: | -3.579 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.934 |
| InChI Key: | FXNMZUQYFPIYMV-UHFFFAOYSA-N |