3-{(Z)-[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-{(Z)-[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
3-{(Z)-[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | Y070-3518 |
| Compound Name: | 3-{(Z)-[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 494.63 |
| Molecular Formula: | C25 H26 N4 O3 S2 |
| Smiles: | CCC(C)N1C(/C(=C/C2=C(NCC(c3ccccc3)O)N=C3C(C)=CC=CN3C2=O)SC1=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.324 |
| logD: | 3.3236 |
| logSw: | -3.3004 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.935 |
| InChI Key: | HJDIOPIPAGEURW-UHFFFAOYSA-N |