[2-chloro-5-(methylsulfanyl)phenyl]{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}methanone
Chemical Structure Depiction of
[2-chloro-5-(methylsulfanyl)phenyl]{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}methanone
[2-chloro-5-(methylsulfanyl)phenyl]{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | 8016-9919 |
| Compound Name: | [2-chloro-5-(methylsulfanyl)phenyl]{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}methanone |
| Molecular Weight: | 485.99 |
| Molecular Formula: | C23 H24 Cl N5 O3 S |
| Smiles: | Cc1cc(C)n(c2cc(ccc2[N+]([O-])=O)N2CCN(CC2)C(c2cc(ccc2[Cl])SC)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9678 |
| logD: | 3.9678 |
| logSw: | -4.3612 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.798 |
| InChI Key: | BSXLMQXWINUWPO-UHFFFAOYSA-N |