N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-methyl-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-methyl-3,5-dinitrobenzamide
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-methyl-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 2026-3261 |
| Compound Name: | N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-methyl-3,5-dinitrobenzamide |
| Molecular Weight: | 434.36 |
| Molecular Formula: | C21 H14 N4 O7 |
| Smiles: | Cc1c(cc(cc1[N+]([O-])=O)C(Nc1ccc(c(c1)c1nc2ccccc2o1)O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8528 |
| logD: | 4.847 |
| logSw: | -4.3672 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.849 |
| InChI Key: | YAGXGAMUMKDBDN-UHFFFAOYSA-N |