1-[3-(4-fluorophenyl)-5,6,7,8,9,10,12,13-octahydro-11H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecin-11-yl]-2-(pyridin-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[3-(4-fluorophenyl)-5,6,7,8,9,10,12,13-octahydro-11H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecin-11-yl]-2-(pyridin-3-yl)ethan-1-one
1-[3-(4-fluorophenyl)-5,6,7,8,9,10,12,13-octahydro-11H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecin-11-yl]-2-(pyridin-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | S774-0380 |
| Compound Name: | 1-[3-(4-fluorophenyl)-5,6,7,8,9,10,12,13-octahydro-11H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecin-11-yl]-2-(pyridin-3-yl)ethan-1-one |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C23 H26 F N5 O |
| Smiles: | C1CCCn2c(CCN(CC1)C(Cc1cccnc1)=O)nnc2c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.7789 |
| logD: | 2.7704 |
| logSw: | -2.8002 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.709 |
| InChI Key: | LMEOKDDEVQXFND-UHFFFAOYSA-N |