2-{[(4-methoxyphenyl)methyl]amino}-7-methyl-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
2-{[(4-methoxyphenyl)methyl]amino}-7-methyl-3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[(4-methoxyphenyl)methyl]amino}-7-methyl-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: | 4578-0742 |
Compound Name: | 2-{[(4-methoxyphenyl)methyl]amino}-7-methyl-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: | 522.64 |
Molecular Formula: | C26 H26 N4 O4 S2 |
Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(CC4CCCO4)C(=S)S3)=O)C(N2C=1)=O)NCc1ccc(cc1)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 2.7098 |
logD: | 2.7095 |
logSw: | -3.0893 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.902 |
InChI Key: | AZTDEZNQFFNFMC-LJQANCHMSA-N |