1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[2-(4-fluorophenyl)-9-methyl-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-{[2-(4-fluorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[2-(4-fluorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | C683-0735 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[2-(4-fluorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C29 H24 F N3 O2 S |
| Smiles: | Cc1cccc2Cc3c(nc(c4ccc(cc4)F)nc3SCC(N3CCCc4ccccc34)=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 7.5866 |
| logD: | 7.5835 |
| logSw: | -5.7307 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.872 |
| InChI Key: | GKEKVKHEBMQHBR-UHFFFAOYSA-N |