2-{[5-(3-chloro-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3-chloro-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
2-{[5-(3-chloro-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | G856-2655 |
| Compound Name: | 2-{[5-(3-chloro-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 510.01 |
| Molecular Formula: | C25 H17 Cl F N3 O2 S2 |
| Smiles: | COc1ccc(cc1)n1c(c2c(c3ccccc3s2)[Cl])nnc1SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4107 |
| logD: | 6.4107 |
| logSw: | -6.337 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.25 |
| InChI Key: | LVHFVWLRMCAZIW-UHFFFAOYSA-N |