3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]adamantane-1-carboxamide
Chemical Structure Depiction of
3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]adamantane-1-carboxamide
3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y508-7923 |
| Compound Name: | 3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]adamantane-1-carboxamide |
| Molecular Weight: | 579.47 |
| Molecular Formula: | C23 H27 Br N6 O5 S |
| Smiles: | C1CCN(C1)S(c1ccc(cc1)NC(C12CC3CC(C1)CC(C3)(C2)n1c(nc(n1)[N+]([O-])=O)[Br])=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3757 |
| logD: | 4.355 |
| logSw: | -4.3208 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.929 |
| InChI Key: | LIOFNGYCADKXMP-UHFFFAOYSA-N |