3-[5-({2-[(2-hydroxyethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Chemical Structure Depiction of
3-[5-({2-[(2-hydroxyethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
3-[5-({2-[(2-hydroxyethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Compound characteristics
Compound ID: | 4578-0126 |
Compound Name: | 3-[5-({2-[(2-hydroxyethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid |
Molecular Weight: | 434.49 |
Molecular Formula: | C18 H18 N4 O5 S2 |
Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CCC(O)=O)C(=S)S1)=O)C2=O)NCCO |
Stereo: | ACHIRAL |
logP: | -0.4801 |
logD: | -3.0127 |
logSw: | -1.3244 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 95.608 |
InChI Key: | FEWHBQVADVMZJK-UHFFFAOYSA-N |