4-ethoxy-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]aniline
Chemical Structure Depiction of
4-ethoxy-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]aniline
4-ethoxy-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]aniline
Compound characteristics
| Compound ID: | 8017-1035 |
| Compound Name: | 4-ethoxy-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]aniline |
| Molecular Weight: | 286.37 |
| Molecular Formula: | C16 H22 N4 O |
| Smiles: | CCOc1ccc(cc1)NCc1nnc2CCCCCn12 |
| Stereo: | ACHIRAL |
| logP: | 2.3242 |
| logD: | 2.3241 |
| logSw: | -2.5931 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.868 |
| InChI Key: | MOICGCWAIYTSHX-UHFFFAOYSA-N |