9-methyl-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(propylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
9-methyl-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(propylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
9-methyl-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(propylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4428-0508 |
| Compound Name: | 9-methyl-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(propylamino)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 444.57 |
| Molecular Formula: | C21 H24 N4 O3 S2 |
| Smiles: | CCCNC1=C(/C=C2/C(N(CC3CCCO3)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1504 |
| logD: | 2.1503 |
| logSw: | -2.423 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.973 |
| InChI Key: | NVUNNDVJXHPICL-CQSZACIVSA-N |