2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-methyl-3-(2-phenylethyl)-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}-6-methyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-methyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C280-0997 |
| Compound Name: | 2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-methyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 477.65 |
| Molecular Formula: | C26 H27 N3 O2 S2 |
| Smiles: | CC1CC2=C(C(N(CCc3ccccc3)C(=N2)SCC(N2CCCc3ccccc23)=O)=O)S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6746 |
| logD: | 4.6746 |
| logSw: | -4.3099 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 41.143 |
| InChI Key: | UBFLGKFKXLNCHN-SFHVURJKSA-N |