N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 1315-0435 |
| Compound Name: | N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide |
| Molecular Weight: | 407.81 |
| Molecular Formula: | C21 H14 Cl N3 O4 |
| Smiles: | Cc1ccc(cc1NC(c1cccc(c1)[N+]([O-])=O)=O)c1nc2cc(ccc2o1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1428 |
| logD: | 5.1424 |
| logSw: | -5.6849 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.824 |
| InChI Key: | RSOCLAHJZKIIPA-UHFFFAOYSA-N |