2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-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-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-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-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-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: | 4578-0761 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-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: | 522.6 |
| Molecular Formula: | C25 H22 N4 O5 S2 |
| Smiles: | C1CC(CN2C(/C(=C/C3=C(NCc4ccc5c(c4)OCO5)N=C4C=CC=CN4C3=O)SC2=S)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3363 |
| logD: | 2.3362 |
| logSw: | -2.8567 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.955 |
| InChI Key: | SOKMVISXILWBFB-MRXNPFEDSA-N |