7-({4-[(3,4-dimethylphenoxy)acetyl]piperazin-1-yl}methyl)-2-(3-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-({4-[(3,4-dimethylphenoxy)acetyl]piperazin-1-yl}methyl)-2-(3-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-({4-[(3,4-dimethylphenoxy)acetyl]piperazin-1-yl}methyl)-2-(3-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0598 |
| Compound Name: | 7-({4-[(3,4-dimethylphenoxy)acetyl]piperazin-1-yl}methyl)-2-(3-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 507.59 |
| Molecular Formula: | C26 H26 F N5 O3 S |
| Smiles: | Cc1ccc(cc1C)OCC(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1cccc(c1)F)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.225 |
| logD: | 3.2185 |
| logSw: | -3.3017 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.431 |
| InChI Key: | RBLXBGHXYSYTDE-UHFFFAOYSA-N |