2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-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-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-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-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-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: | 4578-0775 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-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: | 510.59 |
| Molecular Formula: | C24 H22 N4 O5 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CCOC)C(=S)S1)=O)C2=O)NCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.3829 |
| logD: | 2.3826 |
| logSw: | -2.8265 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.914 |
| InChI Key: | YKYNRVNQYRGZGZ-UHFFFAOYSA-N |