1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[2-(4-fluorophenyl)-7-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)-7-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)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | C683-0637 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[2-(4-fluorophenyl)-7-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: | Cc1ccc2c(Cc3c(nc(c4ccc(cc4)F)nc3SCC(N3CCCc4ccccc34)=O)O2)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.4191 |
| logD: | 7.4161 |
| logSw: | -5.6657 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.188 |
| InChI Key: | XXZDZMGDXYMBFP-UHFFFAOYSA-N |