3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-7-methyl-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-7-methyl-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-7-methyl-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-1172 |
| Compound Name: | 3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-7-methyl-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 520.63 |
| Molecular Formula: | C26 H24 N4 O4 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(Cc4ccc5c(c4)OCO5)C(=S)S3)=O)C(N2C=1)=O)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.1992 |
| logD: | 4.1992 |
| logSw: | -4.3027 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 62.87 |
| InChI Key: | PTSCWIIUAVTCBT-UHFFFAOYSA-N |