7-{[(2-ethoxyphenyl)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-{[(2-ethoxyphenyl)methyl](methyl)amino}-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
7-{[(2-ethoxyphenyl)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: | CM4206-2188 |
| Compound Name: | 7-{[(2-ethoxyphenyl)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: | 330.43 |
| Molecular Formula: | C18 H26 N4 O2 |
| Smiles: | CCOc1ccccc1CN(C)C1CCC2=NN(C)C(N2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5101 |
| logD: | -0.7378 |
| logSw: | -2.141 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.272 |
| InChI Key: | BFVLUMAMQYLRCC-OAHLLOKOSA-N |