2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-{[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-{[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-{[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | Y070-3304 |
| Compound Name: | 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-{[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 492.62 |
| Molecular Formula: | C25 H24 N4 O3 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CCOC)C(=S)S1)=O)C2=O)N1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 3.3174 |
| logD: | 3.3174 |
| logSw: | -3.3638 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 52.511 |
| InChI Key: | KZXWEDOIVXOTOR-UHFFFAOYSA-N |