N-[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitrobenzamide
N-[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2079-0013 |
| Compound Name: | N-[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitrobenzamide |
| Molecular Weight: | 532.35 |
| Molecular Formula: | C26 H18 Br N3 O5 |
| Smiles: | CCOc1ccc(cc1[N+]([O-])=O)C(Nc1ccc2c(c1)nc(c1cccc3c(cccc13)[Br])o2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1745 |
| logD: | 6.1663 |
| logSw: | -5.839 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.159 |
| InChI Key: | JGRFQWHKZLQVMX-UHFFFAOYSA-N |