N-[(1,2-benzoxazol-3-yl)methyl]-N'-(2-methoxy-5-nitrophenyl)urea
Chemical Structure Depiction of
N-[(1,2-benzoxazol-3-yl)methyl]-N'-(2-methoxy-5-nitrophenyl)urea
N-[(1,2-benzoxazol-3-yl)methyl]-N'-(2-methoxy-5-nitrophenyl)urea
Compound characteristics
Compound ID: | E567-0073 |
Compound Name: | N-[(1,2-benzoxazol-3-yl)methyl]-N'-(2-methoxy-5-nitrophenyl)urea |
Molecular Weight: | 342.31 |
Molecular Formula: | C16 H14 N4 O5 |
Smiles: | COc1ccc(cc1NC(NCc1c2ccccc2on1)=O)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 2.7864 |
logD: | 2.7848 |
logSw: | -3.432 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 96.872 |
InChI Key: | HUCYHBUJLUWGSF-UHFFFAOYSA-N |