3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | C100-0008 |
| Compound Name: | 3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C24 H18 N2 O4 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1ccc2c(c1)OCO2)=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9387 |
| logD: | 4.9387 |
| logSw: | -4.7413 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.394 |
| InChI Key: | AQGZRGBYQMIEMW-UHFFFAOYSA-N |