2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-7-methyl-3-{[4-oxo-3-(prop-2-en-1-yl)-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}-7-methyl-3-{[4-oxo-3-(prop-2-en-1-yl)-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}-7-methyl-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0793 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-7-methyl-3-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 492.57 |
| Molecular Formula: | C24 H20 N4 O4 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(CC=C)C(=S)S3)=O)C(N2C=1)=O)NCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.0816 |
| logD: | 3.0815 |
| logSw: | -3.3011 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.07 |
| InChI Key: | PCAJIZGBVOLIHH-UHFFFAOYSA-N |