7-[({4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}methyl)(methyl)amino]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
7-[({4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}methyl)(methyl)amino]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
7-[({4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}methyl)(methyl)amino]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | CM4206-1976 |
| Compound Name: | 7-[({4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}methyl)(methyl)amino]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 428.45 |
| Molecular Formula: | C20 H27 F3 N4 O3 |
| Smiles: | CN(Cc1ccc(c(COCC(F)(F)F)c1)OC)C1CCC2=NN(C)C(N2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7884 |
| logD: | 0.111 |
| logSw: | -2.9843 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.127 |
| InChI Key: | LMFYTBRLKQTIHN-INIZCTEOSA-N |