1-(2-methylpropoxy)-4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-2-ol
Chemical Structure Depiction of
1-(2-methylpropoxy)-4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-2-ol
1-(2-methylpropoxy)-4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-2-ol
Compound characteristics
| Compound ID: | 8009-6958 |
| Compound Name: | 1-(2-methylpropoxy)-4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-2-ol |
| Molecular Weight: | 341.51 |
| Molecular Formula: | C17 H31 N3 O2 S |
| Smiles: | CCCCC(CC(COCC(C)C)O)c1nnc(n1CC=C)S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6039 |
| logD: | 3.1795 |
| logSw: | -3.4442 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.29 |
| InChI Key: | YMMCAWZUKOBVRL-UHFFFAOYSA-N |