2-(benzylamino)-9-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-(benzylamino)-9-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-(benzylamino)-9-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: | 4428-0213 |
Compound Name: | 2-(benzylamino)-9-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: | 492.62 |
Molecular Formula: | C25 H24 N4 O3 S2 |
Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CC3CCCO3)C(=S)S1)=O)C2=O)NCc1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.6936 |
logD: | 2.6852 |
logSw: | -2.9641 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.86 |
InChI Key: | YKBNTYPAZZPYKS-GOSISDBHSA-N |