3-{(Z)-[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-{[(oxolan-2-yl)methyl]amino}-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-{[(oxolan-2-yl)methyl]amino}-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-{[(oxolan-2-yl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-1057 |
| Compound Name: | 3-{(Z)-[3-(butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-{[(oxolan-2-yl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 444.57 |
| Molecular Formula: | C21 H24 N4 O3 S2 |
| Smiles: | CCC(C)N1C(/C(=C/C2=C(NCC3CCCO3)N=C3C=CC=CN3C2=O)SC1=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3695 |
| logD: | 2.3693 |
| logSw: | -2.4374 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.416 |
| InChI Key: | PZMASHSSYHBFRU-UHFFFAOYSA-N |