3-(5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Chemical Structure Depiction of
3-(5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
3-(5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Compound characteristics
| Compound ID: | Y070-3134 |
| Compound Name: | 3-(5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| Molecular Weight: | 492.57 |
| Molecular Formula: | C24 H20 N4 O4 S2 |
| Smiles: | C(CN1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)N2CCc3ccccc3C2)SC1=S)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0788 |
| logD: | -0.4538 |
| logSw: | -2.4941 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.532 |
| InChI Key: | HUYVPMGUQRKVAS-UHFFFAOYSA-N |