3-bromo-N-[3-(pyrrolidine-1-sulfonyl)phenyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
3-bromo-N-[3-(pyrrolidine-1-sulfonyl)phenyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
3-bromo-N-[3-(pyrrolidine-1-sulfonyl)phenyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0293 |
| Compound Name: | 3-bromo-N-[3-(pyrrolidine-1-sulfonyl)phenyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 477.34 |
| Molecular Formula: | C18 H17 Br N6 O3 S |
| Smiles: | C1CCN(C1)S(c1cccc(c1)NC(c1c(ccc(n1)n1cnnc1)[Br])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6271 |
| logD: | 2.5861 |
| logSw: | -3.3078 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.288 |
| InChI Key: | MFBHOJPYQBWCQG-UHFFFAOYSA-N |