2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-methyl-3-(4-methylphenyl)-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-(4-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-methyl-3-(4-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C280-1031 |
| Compound Name: | 2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-methyl-3-(4-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 463.62 |
| Molecular Formula: | C25 H25 N3 O2 S2 |
| Smiles: | CC1CC2=C(C(N(C(=N2)SCC(N2CCCc3ccccc23)=O)c2ccc(C)cc2)=O)S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5232 |
| logD: | 4.5232 |
| logSw: | -4.2295 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 40.553 |
| InChI Key: | BEUGZPPHUCKRJL-KRWDZBQOSA-N |