3-{5-[2-(4-methoxyphenoxy)ethyl]-3-oxo-3,5-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{5-[2-(4-methoxyphenoxy)ethyl]-3-oxo-3,5-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl}propanoic acid
3-{5-[2-(4-methoxyphenoxy)ethyl]-3-oxo-3,5-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | 8018-7034 |
| Compound Name: | 3-{5-[2-(4-methoxyphenoxy)ethyl]-3-oxo-3,5-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl}propanoic acid |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C21 H20 N4 O5 |
| Smiles: | COc1ccc(cc1)OCCN1C2=NC(C(CCC(O)=O)=NN2c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1527 |
| logD: | -0.5066 |
| logSw: | -2.2478 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.052 |
| InChI Key: | QXPWZRSSGIMKGA-UHFFFAOYSA-N |