N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0100 |
| Compound Name: | N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 416.82 |
| Molecular Formula: | C21 H13 Cl N6 O2 |
| Smiles: | c1cc(C(Nc2ccc(cc2)c2nc3cc(ccc3o2)[Cl])=O)nc(c1)n1cnnc1 |
| Stereo: | ACHIRAL |
| logP: | 4.074 |
| logD: | 4.0739 |
| logSw: | -4.4956 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.251 |
| InChI Key: | VOFXNBWUWVBJRD-UHFFFAOYSA-N |