N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2276-0548 |
| Compound Name: | N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 458.26 |
| Molecular Formula: | C21 H13 Cl2 N3 O5 |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(c(c1)c1nc2cc(ccc2o1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2238 |
| logD: | 5.2176 |
| logSw: | -5.6069 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.851 |
| InChI Key: | AKOMURBVWSFGNO-UHFFFAOYSA-N |