4-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
4-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2081-1169 |
| Compound Name: | 4-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide |
| Molecular Weight: | 428.23 |
| Molecular Formula: | C20 H11 Cl2 N3 O4 |
| Smiles: | c1cc(cc(c1)NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)c1nc2cc(ccc2o1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4325 |
| logD: | 5.4307 |
| logSw: | -6.1137 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.22 |
| InChI Key: | JVYZTXCQSBRDQP-UHFFFAOYSA-N |