7-{[4-(4-tert-butylbenzoyl)piperazin-1-yl]methyl}-2-(4-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[4-(4-tert-butylbenzoyl)piperazin-1-yl]methyl}-2-(4-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(4-tert-butylbenzoyl)piperazin-1-yl]methyl}-2-(4-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0256 |
| Compound Name: | 7-{[4-(4-tert-butylbenzoyl)piperazin-1-yl]methyl}-2-(4-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 501.65 |
| Molecular Formula: | C28 H31 N5 O2 S |
| Smiles: | Cc1ccc(cc1)C1=NN2C(=NC(CN3CCN(CC3)C(c3ccc(cc3)C(C)(C)C)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.5283 |
| logD: | 4.5245 |
| logSw: | -4.1322 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.459 |
| InChI Key: | IDIGNULVRAGCEI-UHFFFAOYSA-N |