4-(3,4-dimethoxyphenyl)-7-fluoro-2-phenyl-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-(3,4-dimethoxyphenyl)-7-fluoro-2-phenyl-1H-1,3,5-benzotriazepine
4-(3,4-dimethoxyphenyl)-7-fluoro-2-phenyl-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0135 |
| Compound Name: | 4-(3,4-dimethoxyphenyl)-7-fluoro-2-phenyl-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 375.4 |
| Molecular Formula: | C22 H18 F N3 O2 |
| Smiles: | COc1ccc(cc1OC)C1N=C(c2ccccc2)Nc2ccc(cc2N=1)F |
| Stereo: | ACHIRAL |
| logP: | 4.1598 |
| logD: | 4.157 |
| logSw: | -4.3895 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.736 |
| InChI Key: | FTGPIGSSLVKSJW-UHFFFAOYSA-N |