3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-nitrobenzoate
Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-nitrobenzoate
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-nitrobenzoate
Compound characteristics
| Compound ID: | C100-0175 |
| Compound Name: | 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-nitrobenzoate |
| Molecular Weight: | 476.47 |
| Molecular Formula: | C23 H16 N4 O6 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1ccccc1[N+]([O-])=O)=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8356 |
| logD: | 4.8356 |
| logSw: | -4.7967 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 100.44 |
| InChI Key: | CLTYXPKABWDHOF-UHFFFAOYSA-N |