5-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
5-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5708 |
| Compound Name: | 5-[3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantan-1-yl]-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 444.99 |
| Molecular Formula: | C20 H25 Cl N8 S |
| Smiles: | CCn1c(C)c(cn1)n1c(C23CC4CC(C2)CC(C4)(C3)n2cnc(n2)[Cl])nnc1S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.141 |
| logD: | 1.5846 |
| logSw: | -3.3286 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.447 |
| InChI Key: | PDMLGMDWTBRCIW-UHFFFAOYSA-N |