2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-4(3H)-one
2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-6048 |
| Compound Name: | 2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-4(3H)-one |
| Molecular Weight: | 575.68 |
| Molecular Formula: | C31 H33 N3 O6 S |
| Smiles: | COc1ccc(CCN2C(=Nc3cc(c(cc3C2=O)OC)OC)SCC(N2CCCc3ccccc23)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.4708 |
| logD: | 4.4708 |
| logSw: | -4.2893 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.328 |
| InChI Key: | YXHSVJQRDUAXIN-UHFFFAOYSA-N |