methyl ({5-(5-methylthiophen-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({5-(5-methylthiophen-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({5-(5-methylthiophen-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | Y205-7439 |
| Compound Name: | methyl ({5-(5-methylthiophen-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 353.46 |
| Molecular Formula: | C15 H19 N3 O3 S2 |
| Smiles: | Cc1cc(cs1)c1nnc(n1CC1CCCO1)SCC(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2412 |
| logD: | 2.2411 |
| logSw: | -2.2565 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.492 |
| InChI Key: | FTBWHPUFXDXZBB-GFCCVEGCSA-N |