3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-2-(propylamino)-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-(propylamino)-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-(propylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-1136 |
| Compound Name: | 3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-2-(propylamino)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C24 H22 N4 O4 S2 |
| Smiles: | CCCNC1=C(/C=C2/C(N(Cc3ccc4c(c3)OCO4)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5788 |
| logD: | 3.5788 |
| logSw: | -3.7643 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.435 |
| InChI Key: | KTYIGEMQCHJXHF-UHFFFAOYSA-N |