3-bromo-N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-4-ethoxybenzamide
Chemical Structure Depiction of
3-bromo-N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-4-ethoxybenzamide
3-bromo-N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-4-ethoxybenzamide
Compound characteristics
Compound ID: | 3729-2895 |
Compound Name: | 3-bromo-N-[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-4-ethoxybenzamide |
Molecular Weight: | 465.35 |
Molecular Formula: | C24 H21 Br N2 O3 |
Smiles: | CCOc1ccc(cc1[Br])C(Nc1ccc2c(c1)nc(c1ccc(C)cc1C)o2)=O |
Stereo: | ACHIRAL |
logP: | 6.4117 |
logD: | 6.407 |
logSw: | -5.5907 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.35 |
InChI Key: | HILYDTDZBHAFHR-UHFFFAOYSA-N |