1-hydroxy-3-methyl-2-{[(4H-1,2,4-triazol-4-yl)imino]methyl}pyrido[1,2-a]benzimidazole-4-carbonitrile
Chemical Structure Depiction of
1-hydroxy-3-methyl-2-{[(4H-1,2,4-triazol-4-yl)imino]methyl}pyrido[1,2-a]benzimidazole-4-carbonitrile
1-hydroxy-3-methyl-2-{[(4H-1,2,4-triazol-4-yl)imino]methyl}pyrido[1,2-a]benzimidazole-4-carbonitrile
Compound characteristics
| Compound ID: | 4357-2315 |
| Compound Name: | 1-hydroxy-3-methyl-2-{[(4H-1,2,4-triazol-4-yl)imino]methyl}pyrido[1,2-a]benzimidazole-4-carbonitrile |
| Molecular Weight: | 317.31 |
| Molecular Formula: | C16 H11 N7 O |
| Smiles: | Cc1c(/C=N/n2cnnc2)c(n2c3ccccc3nc2c1C#N)O |
| Stereo: | ACHIRAL |
| logP: | 1.262 |
| logD: | -3.3569 |
| logSw: | -0.9493 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.507 |
| InChI Key: | HZSPMIFYOWQXNN-UHFFFAOYSA-N |