5-[3-(4-butylanilino)-2-hydroxypropyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
Chemical Structure Depiction of
5-[3-(4-butylanilino)-2-hydroxypropyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
5-[3-(4-butylanilino)-2-hydroxypropyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
Compound characteristics
| Compound ID: | D724-0211 |
| Compound Name: | 5-[3-(4-butylanilino)-2-hydroxypropyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C26 H28 N4 O2 |
| Smiles: | CCCCc1ccc(cc1)NCC(CN1C2=C(C#N)C(C)=CC(N2c2ccccc12)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.681 |
| logD: | 4.681 |
| logSw: | -4.2628 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.784 |
| InChI Key: | MJCWNBDQYDMLSI-NRFANRHFSA-N |