1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(2-nitrophenoxy)ethan-1-one
Chemical Structure Depiction of
1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(2-nitrophenoxy)ethan-1-one
1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(2-nitrophenoxy)ethan-1-one
Compound characteristics
| Compound ID: | 3335-0226 |
| Compound Name: | 1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(2-nitrophenoxy)ethan-1-one |
| Molecular Weight: | 428.42 |
| Molecular Formula: | C19 H16 N4 O6 S |
| Smiles: | Cc1c(c(C)n(C(COc2ccccc2[N+]([O-])=O)=O)n1)Sc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0303 |
| logD: | 3.0303 |
| logSw: | -3.5546 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 101.101 |
| InChI Key: | SMIQOGLLGXXNMI-UHFFFAOYSA-N |