N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | 1140-0005 |
| Compound Name: | N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 401.42 |
| Molecular Formula: | C23 H19 N3 O4 |
| Smiles: | CCc1ccc(cc1)c1nc2cc(ccc2o1)NC(c1ccc(c(C)c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8955 |
| logD: | 5.8893 |
| logSw: | -5.4168 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.22 |
| InChI Key: | JDYDJHMJSFIISL-UHFFFAOYSA-N |