2-(1H-benzimidazol-2-yl)-3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 6392-1013 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile |
| Molecular Weight: | 447.5 |
| Molecular Formula: | C27 H21 N5 O2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C(C#N)/c1nc3ccccc3[nH]1)C2=O)Oc1cccc(C)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.7581 |
| logD: | 4.7577 |
| logSw: | -4.7303 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.925 |
| InChI Key: | NRKPGXURTDACCX-UHFFFAOYSA-N |