3-(adamantan-1-yl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(adamantan-1-yl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
3-(adamantan-1-yl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8018-3525 |
| Compound Name: | 3-(adamantan-1-yl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 415.6 |
| Molecular Formula: | C26 H29 N3 S |
| Smiles: | Cc1ccc(CSc2nnc(C34CC5CC(CC(C5)C4)C3)n2c2ccccc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.8434 |
| logD: | 6.8433 |
| logSw: | -6.0026 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.7458 |
| InChI Key: | FRHMWINFZZSMNK-UHFFFAOYSA-N |