9-methyl-3-[(Z)-{4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl]-2-[(1-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
9-methyl-3-[(Z)-{4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl]-2-[(1-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
9-methyl-3-[(Z)-{4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl]-2-[(1-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4678-0073 |
| Compound Name: | 9-methyl-3-[(Z)-{4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl]-2-[(1-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 506.65 |
| Molecular Formula: | C26 H26 N4 O3 S2 |
| Smiles: | CC(c1ccccc1)NC1=C(/C=C2/C(N(CC3CCCO3)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1888 |
| logD: | 3.18 |
| logSw: | -3.4287 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.023 |
| InChI Key: | NBLHKKQCHWZDEW-UHFFFAOYSA-N |