3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl cyclohexanecarboxylate
Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl cyclohexanecarboxylate
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl cyclohexanecarboxylate
Compound characteristics
| Compound ID: | C100-0121 |
| Compound Name: | 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl cyclohexanecarboxylate |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C23 H23 N3 O4 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(C1CCCCC1)=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5022 |
| logD: | 5.5022 |
| logSw: | -5.3263 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.551 |
| InChI Key: | JDVJAKACFIFDKY-UHFFFAOYSA-N |