3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-(3,4-dihydroisoquinolin-2(1H)-yl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-(3,4-dihydroisoquinolin-2(1H)-yl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-(3,4-dihydroisoquinolin-2(1H)-yl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | Y070-2413 |
| Compound Name: | 3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-(3,4-dihydroisoquinolin-2(1H)-yl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 490.65 |
| Molecular Formula: | C26 H26 N4 O2 S2 |
| Smiles: | CCC(C)N1C(/C(=C/C2=C(N=C3C(C)=CC=CN3C2=O)N2CCc3ccccc3C2)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6669 |
| logD: | 4.6669 |
| logSw: | -4.3244 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 43.495 |
| InChI Key: | CPFDKPKKXBMADA-KRWDZBQOSA-N |