2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-9-methyl-3-{[4-oxo-3-(propan-2-yl)-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}-9-methyl-3-{[4-oxo-3-(propan-2-yl)-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}-9-methyl-3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0885 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-9-methyl-3-{[4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 563.7 |
| Molecular Formula: | C28 H29 N5 O4 S2 |
| Smiles: | CC(C)N1C(/C(=C/C2=C(N=C3C(C)=CC=CN3C2=O)N2CCN(CC2)Cc2ccc3c(c2)OCO3)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5878 |
| logD: | 3.1291 |
| logSw: | -3.7466 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 64.905 |
| InChI Key: | OBIIUDOCSOFAGU-UHFFFAOYSA-N |