3-nitro-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}benzamide
Chemical Structure Depiction of
3-nitro-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}benzamide
3-nitro-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}benzamide
Compound characteristics
| Compound ID: | 4411-0167 |
| Compound Name: | 3-nitro-N-{4-[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(c1ccc(cc1)NC(c1cccc(c1)[N+]([O-])=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.5654 |
| logD: | 5.565 |
| logSw: | -5.5684 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.521 |
| InChI Key: | JTUYJHJZSRXIOC-UHFFFAOYSA-N |