1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(9-methoxy-2-phenyl-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-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | C683-0125 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C29 H25 N3 O3 S |
| Smiles: | COc1cccc2Cc3c(nc(c4ccccc4)nc3SCC(N3CCCc4ccccc34)=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 6.824 |
| logD: | 6.821 |
| logSw: | -5.8134 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.502 |
| InChI Key: | IALFARWNBJDMSE-UHFFFAOYSA-N |