N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide
Compound characteristics
Compound ID: | 2081-0706 |
Compound Name: | N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide |
Molecular Weight: | 502.71 |
Molecular Formula: | C21 H13 Br Cl N3 O5 |
Smiles: | COc1ccc(cc1[N+]([O-])=O)C(Nc1ccc2c(c1)nc(c1cc(ccc1[Cl])[Br])o2)=O |
Stereo: | ACHIRAL |
logP: | 5.3974 |
logD: | 5.3892 |
logSw: | -5.9437 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.851 |
InChI Key: | MWMVSTHOAPDTCV-UHFFFAOYSA-N |