N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-3,5-dinitrobenzamide
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 2152-0287 |
| Compound Name: | N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-3,5-dinitrobenzamide |
| Molecular Weight: | 456.77 |
| Molecular Formula: | C20 H10 Cl F N4 O6 |
| Smiles: | c1cc2c(cc1NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)nc(c1ccc(cc1[Cl])F)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.1292 |
| logD: | 4.945 |
| logSw: | -5.6204 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.903 |
| InChI Key: | DYDCFYBPZKUBLQ-UHFFFAOYSA-N |