N-benzyl-2-[2-(2-methoxyethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]acetamide
Chemical Structure Depiction of
N-benzyl-2-[2-(2-methoxyethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]acetamide
N-benzyl-2-[2-(2-methoxyethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]acetamide
Compound characteristics
| Compound ID: | S911-0444 |
| Compound Name: | N-benzyl-2-[2-(2-methoxyethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]acetamide |
| Molecular Weight: | 358.44 |
| Molecular Formula: | C19 H26 N4 O3 |
| Smiles: | COCCN1C(N2CCC(CCC2=N1)CC(NCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7705 |
| logD: | 1.7705 |
| logSw: | -2.0093 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.308 |
| InChI Key: | DWLCDINRWWRZLK-OAHLLOKOSA-N |