3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-2-({3-[(propan-2-yl)oxy]propyl}amino)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-2-({3-[(propan-2-yl)oxy]propyl}amino)-4H-pyrido[1,2-a]pyrimidin-4-one
3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-2-({3-[(propan-2-yl)oxy]propyl}amino)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | Y070-2059 |
| Compound Name: | 3-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-2-({3-[(propan-2-yl)oxy]propyl}amino)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 498.62 |
| Molecular Formula: | C24 H26 N4 O4 S2 |
| Smiles: | CC(C)OCCCNC1=C(/C=C2/C(N(Cc3ccco3)C(=S)S2)=O)C(N2C=CC=C(C)C2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9016 |
| logD: | 2.9015 |
| logSw: | -3.2345 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.269 |
| InChI Key: | JDERRRJCRLLOMI-UHFFFAOYSA-N |