3-[3-oxo-5-(2-phenoxyethyl)-3,5-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid
Chemical Structure Depiction of
3-[3-oxo-5-(2-phenoxyethyl)-3,5-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid
3-[3-oxo-5-(2-phenoxyethyl)-3,5-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid
Compound characteristics
| Compound ID: | 8018-7032 |
| Compound Name: | 3-[3-oxo-5-(2-phenoxyethyl)-3,5-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid |
| Molecular Weight: | 378.39 |
| Molecular Formula: | C20 H18 N4 O4 |
| Smiles: | C(CC(O)=O)C1C(N=C2N(CCOc3ccccc3)c3ccccc3N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1418 |
| logD: | -0.5175 |
| logSw: | -2.2365 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.508 |
| InChI Key: | DAUKPYWRJGTMCQ-UHFFFAOYSA-N |