N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}benzimidazo[1,2-c]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}benzimidazo[1,2-c]quinazoline-3-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}benzimidazo[1,2-c]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | K250-0187 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}benzimidazo[1,2-c]quinazoline-3-carboxamide |
| Molecular Weight: | 616.7 |
| Molecular Formula: | C34 H28 N6 O4 S |
| Smiles: | COc1ccc(CCNC(c2ccc3c(c2)nc(n2c4ccccc4nc23)SCC2=CC(N3C=CC=CC3=N2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.4554 |
| logD: | 4.455 |
| logSw: | -4.5271 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.321 |
| InChI Key: | CEYMEIUFTKHREQ-UHFFFAOYSA-N |