5-[(adamantan-1-yl)methyl]-4-[2-(3,4-diethoxyphenyl)ethyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(adamantan-1-yl)methyl]-4-[2-(3,4-diethoxyphenyl)ethyl]-4H-1,2,4-triazole-3-thiol
5-[(adamantan-1-yl)methyl]-4-[2-(3,4-diethoxyphenyl)ethyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8826 |
| Compound Name: | 5-[(adamantan-1-yl)methyl]-4-[2-(3,4-diethoxyphenyl)ethyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 441.64 |
| Molecular Formula: | C25 H35 N3 O2 S |
| Smiles: | CCOc1ccc(CCn2c(CC34CC5CC(CC(C5)C4)C3)nnc2S)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.9063 |
| logD: | 4.6986 |
| logSw: | -4.6279 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.123 |
| InChI Key: | VPPYNDCFJLBWHZ-UHFFFAOYSA-N |