2-(4-methoxyphenyl)-4-(5-methylfuran-2-yl)-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
2-(4-methoxyphenyl)-4-(5-methylfuran-2-yl)-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine
2-(4-methoxyphenyl)-4-(5-methylfuran-2-yl)-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine
Compound characteristics
Compound ID: | D165-0063 |
Compound Name: | 2-(4-methoxyphenyl)-4-(5-methylfuran-2-yl)-7-(trifluoromethoxy)-1H-1,3,5-benzotriazepine |
Molecular Weight: | 415.37 |
Molecular Formula: | C21 H16 F3 N3 O3 |
Smiles: | Cc1ccc(C2N=C(c3ccc(cc3)OC)Nc3ccc(cc3N=2)OC(F)(F)F)o1 |
Stereo: | ACHIRAL |
logP: | 5.6526 |
logD: | 5.6521 |
logSw: | -5.5855 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.048 |
InChI Key: | COTIDYDDRMWBRT-UHFFFAOYSA-N |