4-(4-ethoxyphenyl)-2-(4-fluorophenyl)-7-methoxy-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-(4-ethoxyphenyl)-2-(4-fluorophenyl)-7-methoxy-1H-1,3,5-benzotriazepine
4-(4-ethoxyphenyl)-2-(4-fluorophenyl)-7-methoxy-1H-1,3,5-benzotriazepine
Compound characteristics
| Compound ID: | D165-0214 |
| Compound Name: | 4-(4-ethoxyphenyl)-2-(4-fluorophenyl)-7-methoxy-1H-1,3,5-benzotriazepine |
| Molecular Weight: | 389.43 |
| Molecular Formula: | C23 H20 F N3 O2 |
| Smiles: | CCOc1ccc(cc1)C1N=C(c2ccc(cc2)F)Nc2ccc(cc2N=1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.2699 |
| logD: | 5.2694 |
| logSw: | -5.2923 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.143 |
| InChI Key: | JLIIOUDDFFYKSU-UHFFFAOYSA-N |