5-[3-(3-chloro-4-methylanilino)-2-hydroxypropyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
Chemical Structure Depiction of
5-[3-(3-chloro-4-methylanilino)-2-hydroxypropyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
5-[3-(3-chloro-4-methylanilino)-2-hydroxypropyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
Compound characteristics
| Compound ID: | D724-0204 |
| Compound Name: | 5-[3-(3-chloro-4-methylanilino)-2-hydroxypropyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile |
| Molecular Weight: | 420.9 |
| Molecular Formula: | C23 H21 Cl N4 O2 |
| Smiles: | CC1=CC(N2C(=C1C#N)N(CC(CNc1ccc(C)c(c1)[Cl])O)c1ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9744 |
| logD: | 3.9744 |
| logSw: | -4.0177 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.784 |
| InChI Key: | DLVVLNCJIOUNLY-KRWDZBQOSA-N |