N-[3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]acetamide
Chemical Structure Depiction of
N-[3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]acetamide
N-[3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]acetamide
Compound characteristics
| Compound ID: | 8013-3584 |
| Compound Name: | N-[3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]acetamide |
| Molecular Weight: | 384.23 |
| Molecular Formula: | C14 H18 Br N5 O3 |
| Smiles: | CC(NC12CC3CC(C1)CC(C3)(C2)n1c(nc(n1)[N+]([O-])=O)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1981 |
| logD: | 2.1981 |
| logSw: | -2.568 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.007 |
| InChI Key: | UYOFRXLJSPAUSD-UHFFFAOYSA-N |