4-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-propoxyoctan-2-ol
Chemical Structure Depiction of
4-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-propoxyoctan-2-ol
4-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-propoxyoctan-2-ol
Compound characteristics
| Compound ID: | 8009-6952 |
| Compound Name: | 4-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-propoxyoctan-2-ol |
| Molecular Weight: | 363.52 |
| Molecular Formula: | C19 H29 N3 O2 S |
| Smiles: | CCCCC(CC(COCCC)O)c1nnc(n1c1ccccc1)S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.643 |
| logD: | 2.3837 |
| logSw: | -3.5183 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.702 |
| InChI Key: | UNPFKWMFOOPVNB-UHFFFAOYSA-N |