[3-(3-bromo-1H-1,2,4-triazol-1-yl)adamantan-1-yl]{4-[(4-methylphenyl)methyl]piperazin-1-yl}methanone
Chemical Structure Depiction of
[3-(3-bromo-1H-1,2,4-triazol-1-yl)adamantan-1-yl]{4-[(4-methylphenyl)methyl]piperazin-1-yl}methanone
[3-(3-bromo-1H-1,2,4-triazol-1-yl)adamantan-1-yl]{4-[(4-methylphenyl)methyl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | Y502-4765 |
| Compound Name: | [3-(3-bromo-1H-1,2,4-triazol-1-yl)adamantan-1-yl]{4-[(4-methylphenyl)methyl]piperazin-1-yl}methanone |
| Molecular Weight: | 498.47 |
| Molecular Formula: | C25 H32 Br N5 O |
| Smiles: | Cc1ccc(CN2CCN(CC2)C(C23CC4CC(C2)CC(C4)(C3)n2cnc(n2)[Br])=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4314 |
| logD: | 4.1998 |
| logSw: | -4.306 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.759 |
| InChI Key: | XODWKPVNCFRBRT-UHFFFAOYSA-N |