3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | Y070-1914 |
| Compound Name: | 3-{[3-(2-ethylhexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 472.67 |
| Molecular Formula: | C24 H32 N4 O2 S2 |
| Smiles: | CCCCC(CC)CN1C(/C(=C/C2=C(NCC(C)C)N=C3C=CC=CN3C2=O)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6126 |
| logD: | 5.6126 |
| logSw: | -5.2571 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.729 |
| InChI Key: | LGUMUCQIPNNQFR-KRWDZBQOSA-N |