2-phenyl-7-({4-[4-(propan-2-yl)benzoyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-phenyl-7-({4-[4-(propan-2-yl)benzoyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-phenyl-7-({4-[4-(propan-2-yl)benzoyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0045 |
| Compound Name: | 2-phenyl-7-({4-[4-(propan-2-yl)benzoyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 473.6 |
| Molecular Formula: | C26 H27 N5 O2 S |
| Smiles: | CC(C)c1ccc(cc1)C(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccccc1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5436 |
| logD: | 3.54 |
| logSw: | -3.6263 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.459 |
| InChI Key: | QJVOLAVHKUAFOL-UHFFFAOYSA-N |