3-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-{[(furan-2-yl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-{[(furan-2-yl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
3-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-{[(furan-2-yl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | 5756-2339 |
| Compound Name: | 3-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-{[(furan-2-yl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 548.64 |
| Molecular Formula: | C27 H24 N4 O5 S2 |
| Smiles: | COc1ccc(CCN2C(/C(=C/C3=C(NCc4ccco4)N=C4C=CC=CN4C3=O)SC2=S)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.3473 |
| logD: | 3.3436 |
| logSw: | -3.622 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.173 |
| InChI Key: | NQKVQCQCJGUTCG-UHFFFAOYSA-N |