methyl 6-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
methyl 6-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | C883-0208 |
| Compound Name: | methyl 6-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 430.42 |
| Molecular Formula: | C23 H18 N4 O5 |
| Smiles: | COC(c1cc2c(cc1NC(c1cnn(c3ccccc3)c1n1cccc1)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3994 |
| logD: | 4.2925 |
| logSw: | -4.1819 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.778 |
| InChI Key: | WWFAMWWWDHCULW-UHFFFAOYSA-N |