6-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazo[1,2-c]quinazoline-3-carboxamide
Chemical Structure Depiction of
6-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazo[1,2-c]quinazoline-3-carboxamide
6-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazo[1,2-c]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | K250-0205 |
| Compound Name: | 6-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazo[1,2-c]quinazoline-3-carboxamide |
| Molecular Weight: | 651.14 |
| Molecular Formula: | C34 H27 Cl N6 O4 S |
| Smiles: | COc1ccc(CCNC(c2ccc3c(c2)nc(n2c4ccccc4nc23)SCC2=CC(N3C=C(C=CC3=N2)[Cl])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.6505 |
| logD: | 4.6501 |
| logSw: | -4.9077 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.84 |
| InChI Key: | IERKZMUMQZQNLY-UHFFFAOYSA-N |