N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 1209-0135 |
| Compound Name: | N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 425.8 |
| Molecular Formula: | C21 H13 Cl F N3 O4 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(Nc1ccc2c(c1)nc(c1ccc(cc1[Cl])F)o2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5128 |
| logD: | 5.4923 |
| logSw: | -5.9527 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.22 |
| InChI Key: | KAVPUDOZVVITLM-UHFFFAOYSA-N |