3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-2-(4-methylpiperazin-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)-9-methyl-2-(4-methylpiperazin-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)-9-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-1152 |
| Compound Name: | 3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 535.64 |
| Molecular Formula: | C26 H25 N5 O4 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(Cc3ccc4c(c3)OCO4)C(=S)S1)=O)C2=O)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.9834 |
| logD: | 2.6434 |
| logSw: | -3.1629 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 64.849 |
| InChI Key: | XCCLWLLXTIAYBR-UHFFFAOYSA-N |