2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4578-0796 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 542.63 |
| Molecular Formula: | C28 H22 N4 O4 S2 |
| Smiles: | CC1C=CC2=NC(=C(/C=C3/C(N(Cc4ccccc4)C(=S)S3)=O)C(N2C=1)=O)NCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.1977 |
| logD: | 4.1977 |
| logSw: | -4.397 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.82 |
| InChI Key: | WDCUIGFUJMYXQS-UHFFFAOYSA-N |