3-{5-[2-(4-fluorophenoxy)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-fluorophenoxy)ethyl]-3-oxo-3,5-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl}propanoic acid
3-{5-[2-(4-fluorophenoxy)ethyl]-3-oxo-3,5-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | 8018-9083 |
| Compound Name: | 3-{5-[2-(4-fluorophenoxy)ethyl]-3-oxo-3,5-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl}propanoic acid |
| Molecular Weight: | 396.38 |
| Molecular Formula: | C20 H17 F N4 O4 |
| Smiles: | C(CC(O)=O)C1C(N=C2N(CCOc3ccc(cc3)F)c3ccccc3N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1994 |
| logD: | -0.4599 |
| logSw: | -2.276 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.508 |
| InChI Key: | VUDGQFKIYRZEKY-UHFFFAOYSA-N |