1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[2-(4-methoxyphenyl)-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-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | C683-0275 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[2-(4-methoxyphenyl)-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: | COc1ccc(cc1)c1nc2c(Cc3ccccc3O2)c(n1)SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0877 |
| logD: | 7.0847 |
| logSw: | -5.7699 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.731 |
| InChI Key: | QMZRBAISMZSZCR-UHFFFAOYSA-N |