7-{[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]methyl}-2-(3-fluorophenyl)-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-(3-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]methyl}-2-(3-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0356 |
| Compound Name: | 7-{[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]methyl}-2-(3-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 543.62 |
| Molecular Formula: | C22 H18 F N7 O3 S3 |
| Smiles: | C1CN(CCN1CC1=CC(N2C(=N1)SC(c1cccc(c1)F)=N2)=O)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5983 |
| logD: | 2.5966 |
| logSw: | -2.8796 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.475 |
| InChI Key: | YXUBGBZMBIDXTP-UHFFFAOYSA-N |