2-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
2-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
2-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
Compound characteristics
Compound ID: | D165-0007 |
Compound Name: | 2-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine |
Molecular Weight: | 395.38 |
Molecular Formula: | C22 H16 F3 N3 O |
Smiles: | COc1ccc(cc1)C1Nc2ccccc2N=C(c2ccc(cc2)C(F)(F)F)N=1 |
Stereo: | ACHIRAL |
logP: | 5.413 |
logD: | 5.4081 |
logSw: | -5.6239 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 39.019 |
InChI Key: | LPFUDFOPXZZJJJ-UHFFFAOYSA-N |