2-{[1-(3,5-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Chemical Structure Depiction of
2-{[1-(3,5-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
2-{[1-(3,5-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Compound characteristics
| Compound ID: | 4285-2497 |
| Compound Name: | 2-{[1-(3,5-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile |
| Molecular Weight: | 478.29 |
| Molecular Formula: | C23 H13 Cl2 N5 O3 |
| Smiles: | Cc1c(\C=C2/C(NN(C2=O)c2cc(cc(c2)[Cl])[Cl])=O)c(n2c3ccccc3nc2c1C#N)O |
| Stereo: | ACHIRAL |
| logP: | 4.0457 |
| logD: | -0.6065 |
| logSw: | -4.3785 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.061 |
| InChI Key: | CSPKREDQWPFCCC-UHFFFAOYSA-N |