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 |