N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide
N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 1550-0591 |
| Compound Name: | N-[2-(2,5-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(c1cc(ccc1[Cl])[Cl])o2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0503 |
| logD: | 6.0298 |
| logSw: | -6.0875 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.22 |
| InChI Key: | IFGQCBRVSFXDOD-UHFFFAOYSA-N |