3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | C100-0099 |
| Compound Name: | 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 475.48 |
| Molecular Formula: | C24 H17 N3 O6 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1ccc2c(c1)OCO2)=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8526 |
| logD: | 4.8526 |
| logSw: | -4.6987 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.475 |
| InChI Key: | SVNQGIKBTYNJHS-UHFFFAOYSA-N |