4-(3-chlorophenyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-5H-[1]benzopyrano[4,3-d]pyrimidin-2-amine
Chemical Structure Depiction of
4-(3-chlorophenyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-5H-[1]benzopyrano[4,3-d]pyrimidin-2-amine
4-(3-chlorophenyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-5H-[1]benzopyrano[4,3-d]pyrimidin-2-amine
Compound characteristics
| Compound ID: | E130-0838 |
| Compound Name: | 4-(3-chlorophenyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-5H-[1]benzopyrano[4,3-d]pyrimidin-2-amine |
| Molecular Weight: | 460 |
| Molecular Formula: | C26 H22 Cl N3 O S |
| Smiles: | CSc1ccc(CCNc2nc(c3cccc(c3)[Cl])c3COc4ccccc4c3n2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.9759 |
| logD: | 6.9758 |
| logSw: | -6.5071 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.478 |
| InChI Key: | FWKKBZUFUQECJT-UHFFFAOYSA-N |