2-{[1-(4-ethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Chemical Structure Depiction of
2-{[1-(4-ethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
2-{[1-(4-ethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Compound characteristics
| Compound ID: | 3172-0202 |
| Compound Name: | 2-{[1-(4-ethylphenyl)-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: | CCc1ccc(cc1)N1C(C(=C\c2c(C)c(C#N)c3nc4ccccc4n3c2O)\C(N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6146 |
| logD: | -1.0376 |
| logSw: | -3.7909 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.061 |
| InChI Key: | YMZQWWYHZIUITF-UHFFFAOYSA-N |