4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-5-[3-(5-methyl-2H-tetrazol-2-yl)adamantan-1-yl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-5-[3-(5-methyl-2H-tetrazol-2-yl)adamantan-1-yl]-4H-1,2,4-triazole-3-thiol
4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-5-[3-(5-methyl-2H-tetrazol-2-yl)adamantan-1-yl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5174 |
| Compound Name: | 4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-5-[3-(5-methyl-2H-tetrazol-2-yl)adamantan-1-yl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 425.56 |
| Molecular Formula: | C20 H27 N9 S |
| Smiles: | CCn1c(C)c(cn1)n1c(C23CC4CC(C2)CC(C4)(C3)n2nc(C)nn2)nnc1S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3322 |
| logD: | 0.7758 |
| logSw: | -1.8766 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.29 |
| InChI Key: | VLDXSBXWISHEAJ-UHFFFAOYSA-N |