2-benzyl-7-[cyclobutyl(methyl)amino]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
2-benzyl-7-[cyclobutyl(methyl)amino]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-benzyl-7-[cyclobutyl(methyl)amino]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | CM4206-7742 |
| Compound Name: | 2-benzyl-7-[cyclobutyl(methyl)amino]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 326.44 |
| Molecular Formula: | C19 H26 N4 O |
| Smiles: | CN(C1CCC1)C1CCC2=NN(Cc3ccccc3)C(N2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8685 |
| logD: | -2.9714 |
| logSw: | -3.0743 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.494 |
| InChI Key: | AEAWRABQWDLLKR-QGZVFWFLSA-N |