1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[9-methyl-2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[9-methyl-2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[9-methyl-2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | C683-0773 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[9-methyl-2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 493.63 |
| Molecular Formula: | C30 H27 N3 O2 S |
| Smiles: | Cc1ccc(cc1)c1nc2c(Cc3cccc(C)c3O2)c(n1)SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 7.9809 |
| logD: | 7.9778 |
| logSw: | -5.7382 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.872 |
| InChI Key: | LFKUCNPAMKZCBJ-UHFFFAOYSA-N |