2-(4-methylphenyl)-7-{[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(4-methylphenyl)-7-{[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(4-methylphenyl)-7-{[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0219 |
| Compound Name: | 2-(4-methylphenyl)-7-{[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 451.57 |
| Molecular Formula: | C22 H21 N5 O2 S2 |
| Smiles: | Cc1ccc(cc1)C1=NN2C(=NC(CN3CCN(CC3)C(c3cccs3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.8703 |
| logD: | 2.8664 |
| logSw: | -3.0678 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.478 |
| InChI Key: | GAYKZIUSCSGVNO-UHFFFAOYSA-N |