N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y500-0214 |
| Compound Name: | N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide |
| Molecular Weight: | 373.37 |
| Molecular Formula: | C21 H15 N3 O4 |
| Smiles: | Cc1ccc(cc1NC(c1cccc(c1)[N+]([O-])=O)=O)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 4.7073 |
| logD: | 4.707 |
| logSw: | -4.5304 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.824 |
| InChI Key: | JNGCDHRRYKSWIP-UHFFFAOYSA-N |