N-{2-methoxy-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{2-methoxy-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-4-nitrobenzamide
N-{2-methoxy-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | 7828-0168 |
| Compound Name: | N-{2-methoxy-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-4-nitrobenzamide |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C24 H21 N3 O5 |
| Smiles: | CC(C)c1ccc2c(c1)nc(c1ccc(c(c1)NC(c1ccc(cc1)[N+]([O-])=O)=O)OC)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.541 |
| logD: | 5.5404 |
| logSw: | -5.5441 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.454 |
| InChI Key: | FPPUUWKVRRYFML-UHFFFAOYSA-N |