2-nitro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}benzamide
Chemical Structure Depiction of
2-nitro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}benzamide
2-nitro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}benzamide
Compound characteristics
| Compound ID: | F019-0534 |
| Compound Name: | 2-nitro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}benzamide |
| Molecular Weight: | 401.42 |
| Molecular Formula: | C23 H19 N3 O4 |
| Smiles: | CC(C)c1ccc2c(c1)nc(c1cccc(c1)NC(c1ccccc1[N+]([O-])=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.5288 |
| logD: | 5.5247 |
| logSw: | -5.5234 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.22 |
| InChI Key: | HNFYJZHHPYGIGT-UHFFFAOYSA-N |