2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C144-0269 |
| Compound Name: | 2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 479.62 |
| Molecular Formula: | C25 H25 N3 O3 S2 |
| Smiles: | CCOc1ccc(cc1)N1C(=NC2CCSC=2C1=O)SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8416 |
| logD: | 3.8416 |
| logSw: | -3.7547 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 47.677 |
| InChI Key: | XORVFAKUMKUSFA-UHFFFAOYSA-N |