7-{[4-(4-tert-butylbenzoyl)piperazin-1-yl]methyl}-2-(3-chlorophenyl)-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-(3-chlorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(4-tert-butylbenzoyl)piperazin-1-yl]methyl}-2-(3-chlorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0398 |
| Compound Name: | 7-{[4-(4-tert-butylbenzoyl)piperazin-1-yl]methyl}-2-(3-chlorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 522.07 |
| Molecular Formula: | C27 H28 Cl N5 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1cccc(c1)[Cl])=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7419 |
| logD: | 4.7383 |
| logSw: | -4.8308 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.459 |
| InChI Key: | ZHDZGESRCQGFDO-UHFFFAOYSA-N |