3-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-b]indazol-3-yl)propanoic acid
Chemical Structure Depiction of
3-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-b]indazol-3-yl)propanoic acid
3-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-b]indazol-3-yl)propanoic acid
Compound characteristics
| Compound ID: | Y042-3112 |
| Compound Name: | 3-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-b]indazol-3-yl)propanoic acid |
| Molecular Weight: | 271.27 |
| Molecular Formula: | C14 H13 N3 O3 |
| Smiles: | CC1=C(CCC(O)=O)C(n2c(c3ccccc3n2)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2885 |
| logD: | -1.2078 |
| logSw: | -2.0359 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.513 |
| InChI Key: | XWWYCHKAMUMGRU-UHFFFAOYSA-N |