4-[5-({2-[benzyl(methyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Chemical Structure Depiction of
4-[5-({2-[benzyl(methyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
4-[5-({2-[benzyl(methyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Compound characteristics
| Compound ID: | 4618-0294 |
| Compound Name: | 4-[5-({2-[benzyl(methyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C24 H22 N4 O4 S2 |
| Smiles: | CN(Cc1ccccc1)C1=C(/C=C2/C(N(CCCC(O)=O)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2992 |
| logD: | -0.5144 |
| logSw: | -2.5053 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.372 |
| InChI Key: | FHFODKVUAKSIEG-UHFFFAOYSA-N |