9-methyl-2-{[(oxolan-2-yl)methyl]amino}-3-[(Z)-{4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
9-methyl-2-{[(oxolan-2-yl)methyl]amino}-3-[(Z)-{4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
9-methyl-2-{[(oxolan-2-yl)methyl]amino}-3-[(Z)-{4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4678-0117 |
| Compound Name: | 9-methyl-2-{[(oxolan-2-yl)methyl]amino}-3-[(Z)-{4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 486.61 |
| Molecular Formula: | C23 H26 N4 O4 S2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CC3CCCO3)C(=S)S1)=O)C2=O)NCC1CCCO1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5142 |
| logD: | 1.5137 |
| logSw: | -1.918 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.515 |
| InChI Key: | QJRRZEPCNWGRGT-UHFFFAOYSA-N |