N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0081 |
| Compound Name: | N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 424.46 |
| Molecular Formula: | C24 H20 N6 O2 |
| Smiles: | CC(C)c1ccc2c(c1)nc(c1ccc(cc1)NC(c1cccc(n1)n1cnnc1)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 4.6967 |
| logD: | 4.6966 |
| logSw: | -4.4765 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.251 |
| InChI Key: | ZBTZZOKEACEAFK-UHFFFAOYSA-N |