6-[5-({9-methyl-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-({9-methyl-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-({9-methyl-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: | Y070-2781 |
Compound Name: | 6-[5-({9-methyl-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: | 488.63 |
Molecular Formula: | C23 H28 N4 O4 S2 |
Smiles: | CC(C)CNC1=C(/C=C2/C(N(CCCCCC(O)=O)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
Stereo: | ACHIRAL |
logP: | 2.7198 |
logD: | -0.1083 |
logSw: | -3.0102 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 79.111 |
InChI Key: | NZCGEJPZZDBKSL-UHFFFAOYSA-N |