methyl ({5-[4-(cyclopentyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({5-[4-(cyclopentyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({5-[4-(cyclopentyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | Y205-7437 |
| Compound Name: | methyl ({5-[4-(cyclopentyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 373.47 |
| Molecular Formula: | C19 H23 N3 O3 S |
| Smiles: | COC(CSc1nnc(c2ccc(cc2)OC2CCCC2)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7016 |
| logD: | 3.7016 |
| logSw: | -3.9307 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.889 |
| InChI Key: | XZAVYAVJECIKFE-UHFFFAOYSA-N |