N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-4-methoxy-3-nitrobenzamide
N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 4331-2658 |
| Compound Name: | N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 465.89 |
| Molecular Formula: | C24 H20 Cl N3 O5 |
| Smiles: | CC(C)c1ccc2c(c1)nc(c1ccc(c(c1)NC(c1ccc(c(c1)[N+]([O-])=O)OC)=O)[Cl])o2 |
| Stereo: | ACHIRAL |
| logP: | 5.7187 |
| logD: | 5.711 |
| logSw: | -6.1535 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.153 |
| InChI Key: | XULAMDFGNOESTD-UHFFFAOYSA-N |