3-(adamantan-1-yl)-5-{[(4-bromophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(adamantan-1-yl)-5-{[(4-bromophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
3-(adamantan-1-yl)-5-{[(4-bromophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
Compound ID: | 8018-0653 |
Compound Name: | 3-(adamantan-1-yl)-5-{[(4-bromophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole |
Molecular Weight: | 480.47 |
Molecular Formula: | C25 H26 Br N3 S |
Smiles: | C1C2CC3CC1CC(C2)(C3)c1nnc(n1c1ccccc1)SCc1ccc(cc1)[Br] |
Stereo: | ACHIRAL |
logP: | 7.2539 |
logD: | 7.2538 |
logSw: | -6.3479 |
Hydrogen bond acceptors count: | 3 |
Polar surface area: | 24.7458 |
InChI Key: | VCRIIPSMHNHVLL-UHFFFAOYSA-N |