7-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-2-(3-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-2-(3-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-2-(3-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
Compound ID: | G768-0859 |
Compound Name: | 7-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-2-(3-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
Molecular Weight: | 451.5 |
Molecular Formula: | C22 H21 N5 O4 S |
Smiles: | COc1cccc(c1)C1=NN2C(=NC(CN3CCN(CC3)C(c3ccco3)=O)=CC2=O)S1 |
Stereo: | ACHIRAL |
logP: | 1.7638 |
logD: | 1.7599 |
logSw: | -2.4583 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 74.582 |
InChI Key: | JKTABFZVVGBSCW-UHFFFAOYSA-N |