7-{[(2,4-dimethylphenyl)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-{[(2,4-dimethylphenyl)methyl](methyl)amino}-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
7-{[(2,4-dimethylphenyl)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: | CM4206-1863 |
| Compound Name: | 7-{[(2,4-dimethylphenyl)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: | 314.43 |
| Molecular Formula: | C18 H26 N4 O |
| Smiles: | Cc1ccc(CN(C)C2CCC3=NN(C)C(N3CC2)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0772 |
| logD: | 0.2456 |
| logSw: | -2.892 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.062 |
| InChI Key: | LDXXBBLEKCDJSU-MRXNPFEDSA-N |