6-[5-({2-[(2-methylpropyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Chemical Structure Depiction of
6-[5-({2-[(2-methylpropyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
6-[5-({2-[(2-methylpropyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Compound characteristics
| Compound ID: | Y070-1907 |
| Compound Name: | 6-[5-({2-[(2-methylpropyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid |
| Molecular Weight: | 474.6 |
| Molecular Formula: | C22 H26 N4 O4 S2 |
| Smiles: | CC(C)CNC1=C(/C=C2/C(N(CCCCCC(O)=O)C(=S)S2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4495 |
| logD: | -0.3787 |
| logSw: | -2.5338 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.091 |
| InChI Key: | FDBIDXHECMRYCJ-UHFFFAOYSA-N |