N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitrobenzamide
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 0957-0212 |
| Compound Name: | N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-3,5-dinitrobenzamide |
| Molecular Weight: | 434.36 |
| Molecular Formula: | C21 H14 N4 O7 |
| Smiles: | COc1ccc2c(c1)nc(c1ccc(cc1)NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 4.3243 |
| logD: | 4.3196 |
| logSw: | -4.4731 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.447 |
| InChI Key: | WMZVUDSKIQCLRW-UHFFFAOYSA-N |