5-[(adamantan-1-yl)methyl]-4-cyclopropyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(adamantan-1-yl)methyl]-4-cyclopropyl-4H-1,2,4-triazole-3-thiol
5-[(adamantan-1-yl)methyl]-4-cyclopropyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-3947 |
| Compound Name: | 5-[(adamantan-1-yl)methyl]-4-cyclopropyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 289.44 |
| Molecular Formula: | C16 H23 N3 S |
| Smiles: | C1CC1n1c(CC23CC4CC(CC(C4)C3)C2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.7148 |
| logD: | 3.6259 |
| logSw: | -4.1014 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.6313 |
| InChI Key: | PCUDJWNNVBJSGB-UHFFFAOYSA-N |