N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitrobenzamide
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2026-3729 |
| Compound Name: | N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitrobenzamide |
| Molecular Weight: | 472.28 |
| Molecular Formula: | C22 H15 Cl2 N3 O5 |
| Smiles: | CCOc1ccc(cc1[N+]([O-])=O)C(Nc1ccc2c(c1)nc(c1ccc(c(c1)[Cl])[Cl])o2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7122 |
| logD: | 5.704 |
| logSw: | -6.0494 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.431 |
| InChI Key: | IKHBFDQSASJNQG-UHFFFAOYSA-N |