4-(3-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidine-1-sulfonyl)-2,1,3-benzothiadiazole
Chemical Structure Depiction of
4-(3-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidine-1-sulfonyl)-2,1,3-benzothiadiazole
4-(3-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidine-1-sulfonyl)-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | P937-3403 |
| Compound Name: | 4-(3-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidine-1-sulfonyl)-2,1,3-benzothiadiazole |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C18 H17 N7 O2 S2 |
| Smiles: | C1CN(CC1Cc1nnc(c2cccnc2)[nH]1)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.911 |
| logD: | 1.8064 |
| logSw: | -1.9853 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.223 |
| InChI Key: | TVKJVXLICXWAFK-LBPRGKRZSA-N |