N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitrobenzamide
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 8006-9321 |
| Compound Name: | N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitrobenzamide |
| Molecular Weight: | 418.36 |
| Molecular Formula: | C21 H14 N4 O6 |
| Smiles: | Cc1c(cc(cc1[N+]([O-])=O)C(Nc1cccc(c1)c1nc2ccccc2o1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.658 |
| logD: | 4.6546 |
| logSw: | -4.5472 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.301 |
| InChI Key: | AHBIVNJULIMFPN-UHFFFAOYSA-N |