N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-methyl-3-nitrobenzamide
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2026-3995 |
| Compound Name: | N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 417.42 |
| Molecular Formula: | C23 H19 N3 O5 |
| Smiles: | Cc1cc2c(cc1C)oc(c1cc(ccc1O)NC(c1ccc(C)c(c1)[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 6.1016 |
| logD: | 6.1012 |
| logSw: | -5.2946 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.769 |
| InChI Key: | MKBJCDXWAFRSHD-UHFFFAOYSA-N |