2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-{[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-{[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-{[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0870 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-{[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 565.67 |
| Molecular Formula: | C27 H27 N5 O5 S2 |
| Smiles: | COCCN1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)N2CCN(CC2)Cc2ccc3c(c2)OCO3)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4302 |
| logD: | 1.9715 |
| logSw: | -2.8134 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 74.484 |
| InChI Key: | IDDUBQHFJLRGSC-UHFFFAOYSA-N |