7-{[4-(2-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[4-(2-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(2-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0456 |
| Compound Name: | 7-{[4-(2-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C21 H21 N5 O3 S3 |
| Smiles: | Cc1ccccc1S(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1cccs1)=N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5454 |
| logD: | 2.5438 |
| logSw: | -2.5662 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 74.54 |
| InChI Key: | ZFMFEMSJJSCOKA-UHFFFAOYSA-N |