[3-(3-bromo-1H-1,2,4-triazol-1-yl)adamantan-1-yl](6-methyl-3,4-dihydroquinolin-1(2H)-yl)methanone
Chemical Structure Depiction of
[3-(3-bromo-1H-1,2,4-triazol-1-yl)adamantan-1-yl](6-methyl-3,4-dihydroquinolin-1(2H)-yl)methanone
[3-(3-bromo-1H-1,2,4-triazol-1-yl)adamantan-1-yl](6-methyl-3,4-dihydroquinolin-1(2H)-yl)methanone
Compound characteristics
| Compound ID: | Y509-0017 |
| Compound Name: | [3-(3-bromo-1H-1,2,4-triazol-1-yl)adamantan-1-yl](6-methyl-3,4-dihydroquinolin-1(2H)-yl)methanone |
| Molecular Weight: | 455.4 |
| Molecular Formula: | C23 H27 Br N4 O |
| Smiles: | Cc1ccc2c(CCCN2C(C23CC4CC(C2)CC(C4)(C3)n2cnc(n2)[Br])=O)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1677 |
| logD: | 5.1677 |
| logSw: | -5.1336 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.883 |
| InChI Key: | GPQZBNFPOLSXOP-UHFFFAOYSA-N |