2-[4-(4-methoxyphenyl)piperazin-1-yl]-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-[4-(4-methoxyphenyl)piperazin-1-yl]-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-[4-(4-methoxyphenyl)piperazin-1-yl]-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: | 4578-0586 |
Compound Name: | 2-[4-(4-methoxyphenyl)piperazin-1-yl]-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: | 577.72 |
Molecular Formula: | C29 H31 N5 O4 S2 |
Smiles: | CC1=CC=CN2C1=NC(=C(/C=C1/C(N(CC3CCCO3)C(=S)S1)=O)C2=O)N1CCN(CC1)c1ccc(cc1)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 3.4761 |
logD: | 3.4761 |
logSw: | -3.6516 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 63.715 |
InChI Key: | MKVSNMZLLLNHIG-JOCHJYFZSA-N |