methyl 4-{3-[(2H-1,3-benzodioxole-5-carbonyl)amino]-1H-pyrazol-1-yl}butanoate
Chemical Structure Depiction of
methyl 4-{3-[(2H-1,3-benzodioxole-5-carbonyl)amino]-1H-pyrazol-1-yl}butanoate
methyl 4-{3-[(2H-1,3-benzodioxole-5-carbonyl)amino]-1H-pyrazol-1-yl}butanoate
Compound characteristics
| Compound ID: | 8018-5417 |
| Compound Name: | methyl 4-{3-[(2H-1,3-benzodioxole-5-carbonyl)amino]-1H-pyrazol-1-yl}butanoate |
| Molecular Weight: | 331.33 |
| Molecular Formula: | C16 H17 N3 O5 |
| Smiles: | COC(CCCn1ccc(NC(c2ccc3c(c2)OCO3)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3377 |
| logD: | 1.3237 |
| logSw: | -1.9922 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.23 |
| InChI Key: | XLZIHAGERQQKPD-UHFFFAOYSA-N |