methyl ({5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | Y205-7438 |
| Compound Name: | methyl ({5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 335.42 |
| Molecular Formula: | C16 H21 N3 O3 S |
| Smiles: | CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.7902 |
| logD: | 2.7902 |
| logSw: | -2.7896 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.378 |
| InChI Key: | UZMIPOVGNAQELE-UHFFFAOYSA-N |