[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](pyridin-3-yl)methanone
Chemical Structure Depiction of
[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](pyridin-3-yl)methanone
[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](pyridin-3-yl)methanone
Compound characteristics
| Compound ID: | S774-0433 |
| Compound Name: | [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](pyridin-3-yl)methanone |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C22 H24 F N5 O |
| Smiles: | C1CCCn2c(CCN(CC1)C(c1cccnc1)=O)nnc2c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.4945 |
| logD: | 2.4944 |
| logSw: | -2.1001 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.237 |
| InChI Key: | UMKVXKTZPOBSST-UHFFFAOYSA-N |