N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-4-nitrobenzamide
N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | F019-0441 |
| Compound Name: | N-{2-chloro-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-4-nitrobenzamide |
| Molecular Weight: | 435.87 |
| Molecular Formula: | C23 H18 Cl N3 O4 |
| Smiles: | CC(C)c1ccc2c(c1)nc(c1ccc(c(c1)NC(c1ccc(cc1)[N+]([O-])=O)=O)[Cl])o2 |
| Stereo: | ACHIRAL |
| logP: | 6.1457 |
| logD: | 6.144 |
| logSw: | -6.3149 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.824 |
| InChI Key: | QHICBZMGYKBYLA-UHFFFAOYSA-N |