7-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F526-0056 |
| Compound Name: | 7-[4-(2,5-dimethylbenzene-1-sulfonyl)piperazin-1-yl]-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 495.62 |
| Molecular Formula: | C24 H25 N5 O3 S2 |
| Smiles: | Cc1cccc(c1)C1=NN2C(=NC(=CC2=O)N2CCN(CC2)S(c2cc(C)ccc2C)(=O)=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.0888 |
| logD: | 4.08 |
| logSw: | -4.094 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.887 |
| InChI Key: | WBVSHKLOEQKENB-UHFFFAOYSA-N |