methyl N-[3-(4-fluorophenyl)-5,6,7,8,9,10,12,13-octahydro-11H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecine-11-carbonyl]valinate
Chemical Structure Depiction of
methyl N-[3-(4-fluorophenyl)-5,6,7,8,9,10,12,13-octahydro-11H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecine-11-carbonyl]valinate
methyl N-[3-(4-fluorophenyl)-5,6,7,8,9,10,12,13-octahydro-11H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecine-11-carbonyl]valinate
Compound characteristics
| Compound ID: | S774-0563 |
| Compound Name: | methyl N-[3-(4-fluorophenyl)-5,6,7,8,9,10,12,13-octahydro-11H-[1,2,4]triazolo[4,3-a][1,5]diazacycloundecine-11-carbonyl]valinate |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C23 H32 F N5 O3 |
| Smiles: | CC(C)C(C(=O)OC)NC(N1CCCCCCn2c(CC1)nnc2c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7345 |
| logD: | 3.7344 |
| logSw: | -3.9264 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.659 |
| InChI Key: | PGHUITGKGIRSIA-FQEVSTJZSA-N |