N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | F019-0461 |
| Compound Name: | N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 421.84 |
| Molecular Formula: | C22 H16 Cl N3 O4 |
| Smiles: | Cc1c(cccc1NC(c1cccc(c1C)[N+]([O-])=O)=O)c1nc2cc(ccc2o1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5296 |
| logD: | 5.5284 |
| logSw: | -5.8195 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.523 |
| InChI Key: | FVWLORLPFASNLK-UHFFFAOYSA-N |