3-(2,4-dichlorophenyl)-1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}prop-2-en-1-one
Chemical Structure Depiction of
3-(2,4-dichlorophenyl)-1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}prop-2-en-1-one
3-(2,4-dichlorophenyl)-1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}prop-2-en-1-one
Compound characteristics
| Compound ID: | 8012-1133 |
| Compound Name: | 3-(2,4-dichlorophenyl)-1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}prop-2-en-1-one |
| Molecular Weight: | 500.38 |
| Molecular Formula: | C24 H23 Cl2 N5 O3 |
| Smiles: | Cc1cc(C)n(c2cc(ccc2[N+]([O-])=O)N2CCN(CC2)C(/C=C/c2ccc(cc2[Cl])[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.7451 |
| logD: | 4.7451 |
| logSw: | -4.8981 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.271 |
| InChI Key: | ATQOEZKGOUIEDW-UHFFFAOYSA-N |