5-[(adamantan-1-yl)methyl]-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(adamantan-1-yl)methyl]-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol
5-[(adamantan-1-yl)methyl]-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y509-0021 |
| Compound Name: | 5-[(adamantan-1-yl)methyl]-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 362.58 |
| Molecular Formula: | C20 H34 N4 S |
| Smiles: | CCN(CC)CCCn1c(CC23CC4CC(CC(C4)C3)C2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 4.1195 |
| logD: | 1.8027 |
| logSw: | -3.9696 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.385 |
| InChI Key: | QDBSYPXDRLBSQE-UHFFFAOYSA-N |