{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone
Chemical Structure Depiction of
{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone
{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | 8016-9413 |
| Compound Name: | {4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone |
| Molecular Weight: | 495.53 |
| Molecular Formula: | C25 H29 N5 O6 |
| Smiles: | Cc1cc(C)n(c2cc(ccc2[N+]([O-])=O)N2CCN(CC2)C(c2cc(c(c(c2)OC)OC)OC)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.3837 |
| logD: | 2.3837 |
| logSw: | -2.8128 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 89.776 |
| InChI Key: | NHSHUQIHNCGYQT-UHFFFAOYSA-N |