3-[(3-butyl-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-butyl-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-butyl-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: | Y070-2412 |
| Compound Name: | 3-[(3-butyl-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: | CCCCN1C(/C(=C/C2=C(N=C3C(C)=CC=CN3C2=O)N2CCc3ccccc3C2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7601 |
| logD: | 4.7601 |
| logSw: | -4.2833 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 44.168 |
| InChI Key: | INBDPJLIJLKNFX-UHFFFAOYSA-N |