7-({4-[(3,4-dimethylphenoxy)acetyl]piperazin-1-yl}methyl)-2-(4-methylphenyl)-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-(4-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-({4-[(3,4-dimethylphenoxy)acetyl]piperazin-1-yl}methyl)-2-(4-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-0243 |
| Compound Name: | 7-({4-[(3,4-dimethylphenoxy)acetyl]piperazin-1-yl}methyl)-2-(4-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C27 H29 N5 O3 S |
| Smiles: | Cc1ccc(cc1)C1=NN2C(=NC(CN3CCN(CC3)C(COc3ccc(C)c(C)c3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.5514 |
| logD: | 3.5449 |
| logSw: | -3.6514 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.431 |
| InChI Key: | VWHMHWIYVBMZEC-UHFFFAOYSA-N |