3-[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]-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-[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]-1lambda~6~-thiolane-1,1-dione
3-[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]-1lambda~6~-thiolane-1,1-dione
Compound characteristics
Compound ID: | Y070-2323 |
Compound Name: | 3-[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]-1lambda~6~-thiolane-1,1-dione |
Molecular Weight: | 492.64 |
Molecular Formula: | C21 H24 N4 O4 S3 |
Smiles: | CC(C)CNC1=C(/C=C2/C(N(C3CCS(C3)(=O)=O)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.4023 |
logD: | 1.4022 |
logSw: | -1.8817 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.136 |
InChI Key: | CXWIDYNRQNCSMT-CQSZACIVSA-N |