[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]acetic acid
Chemical Structure Depiction of
[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]acetic acid
[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]acetic acid
Compound characteristics
Compound ID: | 5898-0220 |
Compound Name: | [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]acetic acid |
Molecular Weight: | 432.52 |
Molecular Formula: | C19 H20 N4 O4 S2 |
Smiles: | CC(C)CNC1=C(\C=C2/C(N(CC(O)=O)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
Stereo: | ACHIRAL |
logP: | 0.9432 |
logD: | -2.1758 |
logSw: | -1.752 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 79.133 |
InChI Key: | BXUZQSVXYQYYKK-UHFFFAOYSA-N |