3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl benzoate
Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl benzoate
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl benzoate
Compound characteristics
| Compound ID: | C100-0130 |
| Compound Name: | 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl benzoate |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C23 H17 N3 O4 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1ccccc1)=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9454 |
| logD: | 4.9454 |
| logSw: | -4.8098 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.359 |
| InChI Key: | PYFUDLRJNMWNML-UHFFFAOYSA-N |