7-chloro-4-(3,4-diethoxyphenyl)-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-chloro-4-(3,4-diethoxyphenyl)-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine
7-chloro-4-(3,4-diethoxyphenyl)-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine
Compound characteristics
Compound ID: | D165-0032 |
Compound Name: | 7-chloro-4-(3,4-diethoxyphenyl)-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine |
Molecular Weight: | 437.9 |
Molecular Formula: | C24 H21 Cl F N3 O2 |
Smiles: | CCOc1ccc(cc1OCC)C1N=C(c2ccc(cc2)F)Nc2ccc(cc2N=1)[Cl] |
Stereo: | ACHIRAL |
logP: | 5.2593 |
logD: | 5.256 |
logSw: | -5.87 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 45.896 |
InChI Key: | RSUHEZNKUWDJMI-UHFFFAOYSA-N |