5-(adamantan-1-yl)-4-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(adamantan-1-yl)-4-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(adamantan-1-yl)-4-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 5933-0658 |
| Compound Name: | 5-(adamantan-1-yl)-4-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 329.44 |
| Molecular Formula: | C18 H20 F N3 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C1=NNC(N1c1ccc(cc1)F)=S |
| Stereo: | ACHIRAL |
| logP: | 5.1471 |
| logD: | 5.0765 |
| logSw: | -5.5089 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.0066 |
| InChI Key: | ARILRVFRJMXBAR-UHFFFAOYSA-N |