1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[3-(2H-tetrazol-2-yl)adamantan-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[3-(2H-tetrazol-2-yl)adamantan-1-yl]ethan-1-one
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[3-(2H-tetrazol-2-yl)adamantan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | Y501-8358 |
| Compound Name: | 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[3-(2H-tetrazol-2-yl)adamantan-1-yl]ethan-1-one |
| Molecular Weight: | 412.41 |
| Molecular Formula: | C18 H23 F3 N6 O2 |
| Smiles: | CC1CC(C(F)(F)F)(N(C(CC23CC4CC(C2)CC(C4)(C3)n2ncnn2)=O)N=1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7872 |
| logD: | 2.7872 |
| logSw: | -2.6808 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.38 |
| InChI Key: | FBBZKNYMJIIHCX-UHFFFAOYSA-N |