N-methyl-3-(oxan-4-yl)-N-{[4-(trifluoromethoxy)phenyl]methyl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-amine
Chemical Structure Depiction of
N-methyl-3-(oxan-4-yl)-N-{[4-(trifluoromethoxy)phenyl]methyl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-amine
N-methyl-3-(oxan-4-yl)-N-{[4-(trifluoromethoxy)phenyl]methyl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-amine
Compound characteristics
| Compound ID: | CM4205-5203 |
| Compound Name: | N-methyl-3-(oxan-4-yl)-N-{[4-(trifluoromethoxy)phenyl]methyl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-amine |
| Molecular Weight: | 424.47 |
| Molecular Formula: | C21 H27 F3 N4 O2 |
| Smiles: | CN(Cc1ccc(cc1)OC(F)(F)F)C1CCc2nnc(C3CCOCC3)n2CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6602 |
| logD: | 2.1683 |
| logSw: | -3.7881 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.896 |
| InChI Key: | LPPCTXUUQVFBDJ-KRWDZBQOSA-N |