7-ethoxy-4-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-ethoxy-4-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine
7-ethoxy-4-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0080 |
| Compound Name: | 7-ethoxy-4-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C24 H22 F N3 O2 |
| Smiles: | CCOc1ccc(cc1)C1N=C(c2ccc(cc2)F)Nc2ccc(cc2N=1)OCC |
| Stereo: | ACHIRAL |
| logP: | 5.6574 |
| logD: | 5.6569 |
| logSw: | -5.5207 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.722 |
| InChI Key: | LQMVJERBYHVPNI-UHFFFAOYSA-N |