3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one
3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | Y070-3236 |
| Compound Name: | 3-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C23 H19 N3 O4 S2 |
| Smiles: | C1CC(CN2C(/C(=C/C3=C(N=C4C=CC=CN4C3=O)Oc3ccccc3)SC2=S)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0036 |
| logD: | 3.0036 |
| logSw: | -3.3753 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 57.6 |
| InChI Key: | HKKUXEYLVYOQOS-MRXNPFEDSA-N |