methyl 4-(1-amino-2,4-dicyanopyrido[1,2-a]benzimidazol-3-yl)benzoate
Chemical Structure Depiction of
methyl 4-(1-amino-2,4-dicyanopyrido[1,2-a]benzimidazol-3-yl)benzoate
methyl 4-(1-amino-2,4-dicyanopyrido[1,2-a]benzimidazol-3-yl)benzoate
Compound characteristics
| Compound ID: | 8010-2223 |
| Compound Name: | methyl 4-(1-amino-2,4-dicyanopyrido[1,2-a]benzimidazol-3-yl)benzoate |
| Molecular Weight: | 367.37 |
| Molecular Formula: | C21 H13 N5 O2 |
| Smiles: | COC(c1ccc(cc1)c1c(C#N)c(N)n2c3ccccc3nc2c1C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7021 |
| logD: | 3.7021 |
| logSw: | -4.4495 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.317 |
| InChI Key: | QDAIBRYGCRMYFF-UHFFFAOYSA-N |