1-(4-chlorophenyl)-2-({5-[(4-methoxyphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-({5-[(4-methoxyphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(4-chlorophenyl)-2-({5-[(4-methoxyphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | G865-0017 |
| Compound Name: | 1-(4-chlorophenyl)-2-({5-[(4-methoxyphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 429.92 |
| Molecular Formula: | C21 H20 Cl N3 O3 S |
| Smiles: | COc1ccc(cc1)OCc1nnc(n1CC=C)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1637 |
| logD: | 4.1637 |
| logSw: | -4.5219 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.485 |
| InChI Key: | ZBFTUZJGRZIDDI-UHFFFAOYSA-N |