7-{[4-(4-tert-butylbenzoyl)piperazin-1-yl]methyl}-2-(2-methoxyphenyl)-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-(2-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(4-tert-butylbenzoyl)piperazin-1-yl]methyl}-2-(2-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0753 |
| Compound Name: | 7-{[4-(4-tert-butylbenzoyl)piperazin-1-yl]methyl}-2-(2-methoxyphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C28 H31 N5 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccccc1OC)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8485 |
| logD: | 3.8449 |
| logSw: | -3.9587 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.09 |
| InChI Key: | NFITXQJGQVLOGI-UHFFFAOYSA-N |