[3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)adamantan-1-yl](morpholin-4-yl)methanone
Chemical Structure Depiction of
[3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)adamantan-1-yl](morpholin-4-yl)methanone
[3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)adamantan-1-yl](morpholin-4-yl)methanone
Compound characteristics
| Compound ID: | Y508-2035 |
| Compound Name: | [3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)adamantan-1-yl](morpholin-4-yl)methanone |
| Molecular Weight: | 440.29 |
| Molecular Formula: | C17 H22 Br N5 O4 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1c(nc(n1)[N+]([O-])=O)[Br])C(N1CCOCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7099 |
| logD: | 2.7099 |
| logSw: | -2.8569 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.318 |
| InChI Key: | NFJHTYWUIAQLSX-UHFFFAOYSA-N |