2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | Y070-3412 |
| Compound Name: | 2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 490.65 |
| Molecular Formula: | C26 H26 N4 O2 S2 |
| Smiles: | CC(C)CN1C(/C(=C/C2=C(N=C3C=CC(C)=CN3C2=O)N2CCc3ccccc3C2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7716 |
| logD: | 4.7716 |
| logSw: | -4.3962 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 45.688 |
| InChI Key: | BIFDZCFJIFTMDN-UHFFFAOYSA-N |