7-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-2-(2-methylphenyl)-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-(2-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-2-(2-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0078 |
| Compound Name: | 7-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-2-(2-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C22 H21 N5 O3 S |
| Smiles: | Cc1ccccc1C1=NN2C(=NC(CN3CCN(CC3)C(c3ccco3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 1.9607 |
| logD: | 1.9572 |
| logSw: | -2.7538 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.038 |
| InChI Key: | PIYSAVBDFUUGHC-UHFFFAOYSA-N |