2-methyl-7-(methyl{[3-(trifluoromethoxy)phenyl]methyl}amino)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
2-methyl-7-(methyl{[3-(trifluoromethoxy)phenyl]methyl}amino)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-methyl-7-(methyl{[3-(trifluoromethoxy)phenyl]methyl}amino)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | CM4206-2066 |
| Compound Name: | 2-methyl-7-(methyl{[3-(trifluoromethoxy)phenyl]methyl}amino)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 370.37 |
| Molecular Formula: | C17 H21 F3 N4 O2 |
| Smiles: | CN(Cc1cccc(c1)OC(F)(F)F)C1CCC2=NN(C)C(N2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2114 |
| logD: | -0.7417 |
| logSw: | -3.4342 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.999 |
| InChI Key: | NFQDOXMZVKZHDL-ZDUSSCGKSA-N |