2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-{[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-7-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}-7-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}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | Y070-3314 |
| Compound Name: | 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-{[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 492.62 |
| Molecular Formula: | C25 H24 N4 O3 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(CCOC)C(=S)S3)=O)C(N2C=1)=O)N1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 3.3512 |
| logD: | 3.3512 |
| logSw: | -3.3941 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 54.009 |
| InChI Key: | NUVUYFKZIPENRR-UHFFFAOYSA-N |