2-ethyl-N-[(4-ethylphenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
2-ethyl-N-[(4-ethylphenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
2-ethyl-N-[(4-ethylphenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0397 |
| Compound Name: | 2-ethyl-N-[(4-ethylphenyl)methyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 342.44 |
| Molecular Formula: | C19 H26 N4 O2 |
| Smiles: | CCc1ccc(CNC(C2CCC3=NN(CC)C(N3CC2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4948 |
| logD: | 2.4947 |
| logSw: | -2.5609 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.925 |
| InChI Key: | UYISTLMEGKGNGU-MRXNPFEDSA-N |