3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-(3-methylphenoxy)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-(3-methylphenoxy)-4H-pyrido[1,2-a]pyrimidin-4-one
3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-(3-methylphenoxy)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | Y070-3632 |
| Compound Name: | 3-{[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-(3-methylphenoxy)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 451.57 |
| Molecular Formula: | C23 H21 N3 O3 S2 |
| Smiles: | CCC(C)N1C(/C(=C/C2=C(N=C3C=CC=CN3C2=O)Oc2cccc(C)c2)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5629 |
| logD: | 4.5629 |
| logSw: | -4.5029 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 48.523 |
| InChI Key: | USTDIIXFVQLJRU-HNNXBMFYSA-N |