2-{[9-(2-phenoxyethyl)-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl]sulfanyl}propanoic acid
Chemical Structure Depiction of
2-{[9-(2-phenoxyethyl)-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl]sulfanyl}propanoic acid
2-{[9-(2-phenoxyethyl)-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl]sulfanyl}propanoic acid
Compound characteristics
| Compound ID: | 6386-0010 |
| Compound Name: | 2-{[9-(2-phenoxyethyl)-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl]sulfanyl}propanoic acid |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C19 H18 N4 O3 S |
| Smiles: | CC(C(O)=O)Sc1nnc2n(CCOc3ccccc3)c3ccccc3n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1483 |
| logD: | -0.0581 |
| logSw: | -3.1478 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.731 |
| InChI Key: | SFYQDCHXRHFNHE-ZDUSSCGKSA-N |