1-hydroxy-3-methyl-2-{[1-(3-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}pyrido[1,2-a]benzimidazole-4-carbonitrile
Chemical Structure Depiction of
1-hydroxy-3-methyl-2-{[1-(3-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}pyrido[1,2-a]benzimidazole-4-carbonitrile
1-hydroxy-3-methyl-2-{[1-(3-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}pyrido[1,2-a]benzimidazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8016-0033 |
| Compound Name: | 1-hydroxy-3-methyl-2-{[1-(3-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}pyrido[1,2-a]benzimidazole-4-carbonitrile |
| Molecular Weight: | 423.43 |
| Molecular Formula: | C24 H17 N5 O3 |
| Smiles: | Cc1cccc(c1)N1C(C(=C\c2c(C)c(C#N)c3nc4ccccc4n3c2O)\C(N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2182 |
| logD: | -1.434 |
| logSw: | -3.4127 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.061 |
| InChI Key: | GQOASFIIALGBQH-UHFFFAOYSA-N |