3-{5-[2-(2,4-dichlorophenoxy)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-(2,4-dichlorophenoxy)ethyl]-3-oxo-3,5-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl}propanoic acid
3-{5-[2-(2,4-dichlorophenoxy)ethyl]-3-oxo-3,5-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | 8018-8121 |
| Compound Name: | 3-{5-[2-(2,4-dichlorophenoxy)ethyl]-3-oxo-3,5-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl}propanoic acid |
| Molecular Weight: | 447.28 |
| Molecular Formula: | C20 H16 Cl2 N4 O4 |
| Smiles: | C(CC(O)=O)C1C(N=C2N(CCOc3ccc(cc3[Cl])[Cl])c3ccccc3N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1139 |
| logD: | 0.4546 |
| logSw: | -3.3813 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.595 |
| InChI Key: | XPMUGPPCXGENRY-UHFFFAOYSA-N |