3-{10-[2-(4-methoxyphenoxy)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-methoxyphenoxy)ethyl]-4-oxo-4,10-dihydro[1,2,4]triazino[4,3-a]benzimidazol-3-yl}propanoic acid
3-{10-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4,10-dihydro[1,2,4]triazino[4,3-a]benzimidazol-3-yl}propanoic acid
Compound characteristics
| Compound ID: | 8019-6685 |
| Compound Name: | 3-{10-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4,10-dihydro[1,2,4]triazino[4,3-a]benzimidazol-3-yl}propanoic acid |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C21 H20 N4 O5 |
| Smiles: | [H]OC(CCC1C(N2C(=NN=1)N(CCOc1ccc(cc1)OC)c1ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3798 |
| logD: | -0.2795 |
| logSw: | -2.2886 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.515 |
| InChI Key: | OJBHVMUPYXJLKZ-UHFFFAOYSA-N |