7-methyl-2-{[(4-methylphenyl)methyl]amino}-3-({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
7-methyl-2-{[(4-methylphenyl)methyl]amino}-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
7-methyl-2-{[(4-methylphenyl)methyl]amino}-3-({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: | 4578-0685 |
| Compound Name: | 7-methyl-2-{[(4-methylphenyl)methyl]amino}-3-({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: | 506.65 |
| Molecular Formula: | C26 H26 N4 O3 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(CC4CCCO4)C(=S)S3)=O)C(N2C=1)=O)NCc1ccc(C)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1508 |
| logD: | 3.1483 |
| logSw: | -3.2604 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.359 |
| InChI Key: | JTOWINQKZXSGJS-LJQANCHMSA-N |