1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one
Chemical Structure Depiction of
1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one
1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one
Compound characteristics
| Compound ID: | 5795-0085 |
| Compound Name: | 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one |
| Molecular Weight: | 401.41 |
| Molecular Formula: | C19 H16 F N3 O4 S |
| Smiles: | Cc1c(c(C)n(C(COc2ccc(cc2)F)=O)n1)Sc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3526 |
| logD: | 3.3526 |
| logSw: | -3.6274 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.934 |
| InChI Key: | YMBDUDAAYSJGMX-UHFFFAOYSA-N |