11-(benzenesulfonyl)-N-(2-methylpropyl)-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-carboxamide
Chemical Structure Depiction of
11-(benzenesulfonyl)-N-(2-methylpropyl)-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-carboxamide
11-(benzenesulfonyl)-N-(2-methylpropyl)-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-carboxamide
Compound characteristics
| Compound ID: | S781-0168 |
| Compound Name: | 11-(benzenesulfonyl)-N-(2-methylpropyl)-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-carboxamide |
| Molecular Weight: | 510.66 |
| Molecular Formula: | C26 H34 N6 O3 S |
| Smiles: | CC(C)CNC(C1CCCN(CCc2nnc(c3cccnc3)n2CC1)S(c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2057 |
| logD: | 2.1193 |
| logSw: | -2.1489 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.984 |
| InChI Key: | ZAQLZVGJJNPETB-NRFANRHFSA-N |