2-(4-chlorophenoxy)-1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenoxy)-1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}ethan-1-one
2-(4-chlorophenoxy)-1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | 5795-0086 |
| Compound Name: | 2-(4-chlorophenoxy)-1-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}ethan-1-one |
| Molecular Weight: | 417.87 |
| Molecular Formula: | C19 H16 Cl N3 O4 S |
| Smiles: | Cc1c(c(C)n(C(COc2ccc(cc2)[Cl])=O)n1)Sc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9183 |
| logD: | 3.9183 |
| logSw: | -4.4044 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.934 |
| InChI Key: | LSOZOUPBVQUNAW-UHFFFAOYSA-N |