N-benzyl-N-methyl-3-oxo-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-N-methyl-3-oxo-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
N-benzyl-N-methyl-3-oxo-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0158 |
| Compound Name: | N-benzyl-N-methyl-3-oxo-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C24 H28 N4 O3 |
| Smiles: | CN(Cc1ccccc1)C(C1CCC2=NN(CCOc3ccccc3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6794 |
| logD: | 3.6794 |
| logSw: | -3.7981 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.062 |
| InChI Key: | LVLDNNQKZBLMPX-HXUWFJFHSA-N |