1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | C100-0736 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C23 H24 N2 O4 S |
| Smiles: | Cc1ccc(cc1)Sc1c(C)nn(c1OC(c1ccc2c(c1)OCO2)=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.1162 |
| logD: | 5.1162 |
| logSw: | -5.0866 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.361 |
| InChI Key: | FDLOFZCVURLFPK-UHFFFAOYSA-N |