4-(3,4-dimethoxyphenyl)-7-ethyl-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
4-(3,4-dimethoxyphenyl)-7-ethyl-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine
4-(3,4-dimethoxyphenyl)-7-ethyl-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine
Compound characteristics
Compound ID: | D165-0111 |
Compound Name: | 4-(3,4-dimethoxyphenyl)-7-ethyl-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine |
Molecular Weight: | 403.46 |
Molecular Formula: | C24 H22 F N3 O2 |
Smiles: | CCc1ccc2c(c1)N=C(c1ccc(c(c1)OC)OC)N=C(c1ccc(cc1)F)N2 |
Stereo: | ACHIRAL |
logP: | 5.1173 |
logD: | 5.1054 |
logSw: | -5.1278 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 46.736 |
InChI Key: | FMHFDPXOVDNEHR-UHFFFAOYSA-N |