7-{[(2-chloro-3,4-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-{[(2-chloro-3,4-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-{[(2-chloro-3,4-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: | CM4206-2250 |
| Compound Name: | 7-{[(2-chloro-3,4-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: | 380.87 |
| Molecular Formula: | C18 H25 Cl N4 O3 |
| Smiles: | CN(Cc1ccc(c(c1[Cl])OC)OC)C1CCC2=NN(C)C(N2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6158 |
| logD: | -0.5232 |
| logSw: | -3.3024 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.41 |
| InChI Key: | PXOMYVXQAFZANV-ZDUSSCGKSA-N |