2-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Chemical Structure Depiction of
2-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
2-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8009-3627 |
| Compound Name: | 2-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile |
| Molecular Weight: | 437.46 |
| Molecular Formula: | C25 H19 N5 O3 |
| Smiles: | Cc1ccc(cc1C)N1C(C(=C\c2c(C)c(C#N)c3nc4ccccc4n3c2O)\C(N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8523 |
| logD: | -0.7999 |
| logSw: | -4.1323 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.061 |
| InChI Key: | JVNDOABBUDCKBX-UHFFFAOYSA-N |