3-{10-[2-(4-methylphenoxy)ethyl]-4-oxo-4,10-dihydro[1,2,4]triazino[4,3-a]benzimidazol-3-yl}propanoic acid
Chemical Structure Depiction of
3-{10-[2-(4-methylphenoxy)ethyl]-4-oxo-4,10-dihydro[1,2,4]triazino[4,3-a]benzimidazol-3-yl}propanoic acid
3-{10-[2-(4-methylphenoxy)ethyl]-4-oxo-4,10-dihydro[1,2,4]triazino[4,3-a]benzimidazol-3-yl}propanoic acid
Compound characteristics
| Compound ID: | 8019-7486 |
| Compound Name: | 3-{10-[2-(4-methylphenoxy)ethyl]-4-oxo-4,10-dihydro[1,2,4]triazino[4,3-a]benzimidazol-3-yl}propanoic acid |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C21 H20 N4 O4 |
| Smiles: | [H]OC(CCC1C(N2C(=NN=1)N(CCOc1ccc(C)cc1)c1ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8208 |
| logD: | 0.1615 |
| logSw: | -3.2184 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.971 |
| InChI Key: | MTDZVVKCCHFBHX-UHFFFAOYSA-N |