N-{2-methyl-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-(morpholin-4-yl)-5-nitrobenzamide
Chemical Structure Depiction of
N-{2-methyl-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-(morpholin-4-yl)-5-nitrobenzamide
N-{2-methyl-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-(morpholin-4-yl)-5-nitrobenzamide
Compound characteristics
| Compound ID: | 7770-4005 |
| Compound Name: | N-{2-methyl-5-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-2-(morpholin-4-yl)-5-nitrobenzamide |
| Molecular Weight: | 500.55 |
| Molecular Formula: | C28 H28 N4 O5 |
| Smiles: | CC(C)c1ccc2c(c1)nc(c1ccc(C)c(c1)NC(c1cc(ccc1N1CCOCC1)[N+]([O-])=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.5704 |
| logD: | 5.5697 |
| logSw: | -5.3703 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.884 |
| InChI Key: | IHEJEZFUMCXEJK-UHFFFAOYSA-N |