2-(4-chlorophenyl)-4-(3,4-diethoxyphenyl)-7-fluoro-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
2-(4-chlorophenyl)-4-(3,4-diethoxyphenyl)-7-fluoro-1H-1,3,5-benzotriazepine
2-(4-chlorophenyl)-4-(3,4-diethoxyphenyl)-7-fluoro-1H-1,3,5-benzotriazepine
Compound characteristics
Compound ID: | D165-0210 |
Compound Name: | 2-(4-chlorophenyl)-4-(3,4-diethoxyphenyl)-7-fluoro-1H-1,3,5-benzotriazepine |
Molecular Weight: | 437.9 |
Molecular Formula: | C24 H21 Cl F N3 O2 |
Smiles: | CCOc1ccc(cc1OCC)C1N=C(c2ccc(cc2)[Cl])Nc2ccc(cc2N=1)F |
Stereo: | ACHIRAL |
logP: | 5.3509 |
logD: | 5.3475 |
logSw: | -6.0556 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 45.896 |
InChI Key: | AJJXNSKNPIAGTQ-UHFFFAOYSA-N |