3-[5-({7-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-({7-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-({7-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: | Y070-2466 |
| Compound Name: | 3-[5-({7-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=C(C)C=CC2=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4361 |
| logD: | 1.436 |
| logSw: | -2.1584 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.635 |
| InChI Key: | VYVGJTCTSZCQKK-CQSZACIVSA-N |