methyl 6-{[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-{[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
methyl 6-{[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | E751-3235 |
| Compound Name: | methyl 6-{[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 444.45 |
| Molecular Formula: | C24 H20 N4 O5 |
| Smiles: | Cc1ccc(cc1)n1c(c(cn1)C(Nc1cc2c(cc1C(=O)OC)OCO2)=O)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9443 |
| logD: | 4.8374 |
| logSw: | -4.4237 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.778 |
| InChI Key: | QVIPZEAENVRYSK-UHFFFAOYSA-N |