7-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F529-0198 |
| Compound Name: | 7-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C27 H29 N5 O2 S |
| Smiles: | Cc1cccc(c1)C1=NN2C(=NC(=CC2=O)N2CCN(CC2)C(c2ccc(cc2)C(C)(C)C)=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.8517 |
| logD: | 4.8429 |
| logSw: | -4.6783 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.825 |
| InChI Key: | MROLJZAWDHQDQF-UHFFFAOYSA-N |