N-[(4-ethylphenyl)methyl]-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-[(4-ethylphenyl)methyl]-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-[(4-ethylphenyl)methyl]-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: | S911-0495 |
| Compound Name: | N-[(4-ethylphenyl)methyl]-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: | 386.49 |
| Molecular Formula: | C21 H30 N4 O3 |
| Smiles: | CCc1ccc(CNC(CC2CCC3=NN(CCOC)C(N3CC2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7012 |
| logD: | 2.7012 |
| logSw: | -2.7832 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.308 |
| InChI Key: | DKENSRMVICDYCA-QGZVFWFLSA-N |