7-{[(3,5-dimethoxyphenyl)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-{[(3,5-dimethoxyphenyl)methyl](methyl)amino}-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
7-{[(3,5-dimethoxyphenyl)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: | CM4206-2088 |
| Compound Name: | 7-{[(3,5-dimethoxyphenyl)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: | 346.43 |
| Molecular Formula: | C18 H26 N4 O3 |
| Smiles: | CN(Cc1cc(cc(c1)OC)OC)C1CCC2=NN(C)C(N2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1622 |
| logD: | -3.2378 |
| logSw: | -2.2374 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.15 |
| InChI Key: | OHBZBUXPNDTOFE-CQSZACIVSA-N |