N-{4-[5-(butan-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-(butan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
N-{4-[5-(butan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0062 |
| Compound Name: | N-{4-[5-(butan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 438.49 |
| Molecular Formula: | C25 H22 N6 O2 |
| Smiles: | CCC(C)c1ccc2c(c1)nc(c1ccc(cc1)NC(c1cccc(n1)n1cnnc1)=O)o2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.059 |
| logD: | 5.059 |
| logSw: | -4.6222 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.251 |
| InChI Key: | IEODXBPMUYKTBB-INIZCTEOSA-N |