4-[(1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]but-2-yn-1-yl 4-chlorobenzoate
Chemical Structure Depiction of
4-[(1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]but-2-yn-1-yl 4-chlorobenzoate
4-[(1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]but-2-yn-1-yl 4-chlorobenzoate
Compound characteristics
| Compound ID: | 6937-0233 |
| Compound Name: | 4-[(1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]but-2-yn-1-yl 4-chlorobenzoate |
| Molecular Weight: | 383.85 |
| Molecular Formula: | C19 H14 Cl N3 O2 S |
| Smiles: | C(C#CCSc1ncnn1c1ccccc1)OC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9786 |
| logD: | 4.9786 |
| logSw: | -5.297 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.46 |
| InChI Key: | KKBNHGRAFQDZAH-UHFFFAOYSA-N |