1-{4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}-2-(2-nitrophenoxy)ethan-1-one
Chemical Structure Depiction of
1-{4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}-2-(2-nitrophenoxy)ethan-1-one
1-{4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}-2-(2-nitrophenoxy)ethan-1-one
Compound characteristics
| Compound ID: | 3335-0253 |
| Compound Name: | 1-{4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1H-pyrazol-1-yl}-2-(2-nitrophenoxy)ethan-1-one |
| Molecular Weight: | 417.87 |
| Molecular Formula: | C19 H16 Cl N3 O4 S |
| Smiles: | Cc1c(c(C)n(C(COc2ccccc2[N+]([O-])=O)=O)n1)Sc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6994 |
| logD: | 3.6994 |
| logSw: | -4.2469 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.72 |
| InChI Key: | NHLLXSHOYVOELI-UHFFFAOYSA-N |