di(propan-2-yl) 5-[(4-iodo-1-methyl-1H-pyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
di(propan-2-yl) 5-[(4-iodo-1-methyl-1H-pyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
di(propan-2-yl) 5-[(4-iodo-1-methyl-1H-pyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | Y501-5269 |
| Compound Name: | di(propan-2-yl) 5-[(4-iodo-1-methyl-1H-pyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate |
| Molecular Weight: | 499.3 |
| Molecular Formula: | C19 H22 I N3 O5 |
| Smiles: | CC(C)OC(c1cc(cc(c1)NC(c1c(cn(C)n1)I)=O)C(=O)OC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.993 |
| logD: | 3.9918 |
| logSw: | -4.0834 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.551 |
| InChI Key: | NCQSZFRAXCXZEZ-UHFFFAOYSA-N |