2-(4-benzylpiperidin-1-yl)-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-benzylpiperidin-1-yl)-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-benzylpiperidin-1-yl)-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: | 4578-0330 |
| Compound Name: | 2-(4-benzylpiperidin-1-yl)-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: | 546.71 |
| Molecular Formula: | C29 H30 N4 O3 S2 |
| Smiles: | C1CC(CN2C(/C(=C/C3=C(N=C4C=CC=CN4C3=O)N3CCC(CC3)Cc3ccccc3)SC2=S)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4374 |
| logD: | 4.4374 |
| logSw: | -4.4043 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 53.619 |
| InChI Key: | HQBVZZODZFMGOK-JOCHJYFZSA-N |