methyl 6-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
methyl 6-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | C883-0497 |
| Compound Name: | methyl 6-{[3-methyl-1-phenyl-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: | Cc1c(C(Nc2cc3c(cc2C(=O)OC)OCO3)=O)c(n2cccc2)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.0587 |
| logD: | 3.7655 |
| logSw: | -4.3425 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.131 |
| InChI Key: | DZWHWXRPXMNKBW-UHFFFAOYSA-N |