3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
Compound ID: | 4578-0818 |
Compound Name: | 3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
Molecular Weight: | 481.61 |
Molecular Formula: | C23 H19 N3 O3 S3 |
Smiles: | C1CC(CN2C(/C(=C/C3=C(N=C4C=CC=CN4C3=O)Sc3ccccc3)SC2=S)=O)OC1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.5638 |
logD: | 3.5638 |
logSw: | -3.694 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 49.414 |
InChI Key: | NSHXKNKAVFRJHR-OAHLLOKOSA-N |