N-[4-(2-amino-2-oxoethoxy)phenyl]-3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0300 |
| Compound Name: | N-[4-(2-amino-2-oxoethoxy)phenyl]-3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 417.22 |
| Molecular Formula: | C16 H13 Br N6 O3 |
| Smiles: | C(C(N)=O)Oc1ccc(cc1)NC(c1c(ccc(n1)n1cnnc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.2576 |
| logD: | 1.2563 |
| logSw: | -2.1236 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.098 |
| InChI Key: | HGUWHSHNXRJTKG-UHFFFAOYSA-N |