4-ethoxy-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
Chemical Structure Depiction of
4-ethoxy-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
4-ethoxy-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | E683-0441 |
| Compound Name: | 4-ethoxy-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide |
| Molecular Weight: | 376.46 |
| Molecular Formula: | C22 H24 N4 O2 |
| Smiles: | CCOc1ccc(cc1)C(Nc1ccc(cc1)c1nnc2CCCCCn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7365 |
| logD: | 3.7361 |
| logSw: | -3.8454 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.477 |
| InChI Key: | UNROMHYGVPFQIL-UHFFFAOYSA-N |