7-{[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]methyl}-2-(2-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]methyl}-2-(2-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]methyl}-2-(2-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0086 |
| Compound Name: | 7-{[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]methyl}-2-(2-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 539.66 |
| Molecular Formula: | C23 H21 N7 O3 S3 |
| Smiles: | Cc1ccccc1C1=NN2C(=NC(CN3CCN(CC3)S(c3cccc4c3nsn4)(=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.7347 |
| logD: | 2.733 |
| logSw: | -3.2977 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.475 |
| InChI Key: | CCXWDOAXNBJTRJ-UHFFFAOYSA-N |