4-[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]butanoic acid
Chemical Structure Depiction of
4-[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]butanoic acid
4-[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]butanoic acid
Compound characteristics
| Compound ID: | 4578-0127 |
| Compound Name: | 4-[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]butanoic acid |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C19 H20 N4 O5 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CCCC(O)=O)C(=S)S1)=O)C2=O)NCCO |
| Stereo: | ACHIRAL |
| logP: | -0.1271 |
| logD: | -2.9407 |
| logSw: | -1.4393 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.608 |
| InChI Key: | SZZGBCKPIGJCOQ-UHFFFAOYSA-N |