N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 1209-0096 |
| Compound Name: | N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 442.26 |
| Molecular Formula: | C21 H13 Cl2 N3 O4 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(Nc1ccc2c(c1)nc(c1ccc(cc1[Cl])[Cl])o2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0215 |
| logD: | 6.0009 |
| logSw: | -6.0842 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.22 |
| InChI Key: | SZLFQFABBZYUCM-UHFFFAOYSA-N |