2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-9-methyl-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-9-methyl-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-9-methyl-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0778 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-9-methyl-3-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 556.66 |
| Molecular Formula: | C29 H24 N4 O4 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CCc3ccccc3)C(=S)S1)=O)C2=O)NCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.263 |
| logD: | 4.2628 |
| logSw: | -4.3361 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.3 |
| InChI Key: | WDGUHOKDMVABJK-UHFFFAOYSA-N |