2-[({5-[4-(decyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]pyridine
Chemical Structure Depiction of
2-[({5-[4-(decyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]pyridine
2-[({5-[4-(decyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]pyridine
Compound characteristics
| Compound ID: | 8008-8563 |
| Compound Name: | 2-[({5-[4-(decyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]pyridine |
| Molecular Weight: | 464.67 |
| Molecular Formula: | C27 H36 N4 O S |
| Smiles: | CCCCCCCCCCOc1ccc(cc1)c1nnc(n1CC=C)SCc1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 8.0321 |
| logD: | 7.9835 |
| logSw: | -5.8647 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.18 |
| InChI Key: | NKHZZZCFQXCURY-UHFFFAOYSA-N |