N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxy-3-nitrobenzamide
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | F019-0454 |
| Compound Name: | N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 437.84 |
| Molecular Formula: | C22 H16 Cl N3 O5 |
| Smiles: | Cc1ccc(cc1NC(c1ccc(c(c1)[N+]([O-])=O)OC)=O)c1nc2cc(ccc2o1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6955 |
| logD: | 4.6954 |
| logSw: | -4.9459 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.153 |
| InChI Key: | FWQSZSMZFKTMKK-UHFFFAOYSA-N |