11-(benzenesulfonyl)-3-(pyridin-3-yl)-6,7,8,9,10,11,12,13-octahydro-5H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecine-7-carboxylic acid--hydrogen chloride (1/1)
Chemical Structure Depiction of
11-(benzenesulfonyl)-3-(pyridin-3-yl)-6,7,8,9,10,11,12,13-octahydro-5H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecine-7-carboxylic acid--hydrogen chloride (1/1)
11-(benzenesulfonyl)-3-(pyridin-3-yl)-6,7,8,9,10,11,12,13-octahydro-5H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecine-7-carboxylic acid--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S781-0206 |
| Compound Name: | 11-(benzenesulfonyl)-3-(pyridin-3-yl)-6,7,8,9,10,11,12,13-octahydro-5H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecine-7-carboxylic acid--hydrogen chloride (1/1) |
| Molecular Weight: | 492 |
| Molecular Formula: | C22 H25 N5 O4 S |
| Salt: | HCl |
| Smiles: | C1CC(CCn2c(CCN(C1)S(c1ccccc1)(=O)=O)nnc2c1cccnc1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7823 |
| logD: | -1.5605 |
| logSw: | -1.5787 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.707 |
| InChI Key: | WWZFSMVBSQOTGO-KRWDZBQOSA-N |