2-{[5-(3-chloro-1-benzothiophen-2-yl)-4-methyl-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-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
2-{[5-(3-chloro-1-benzothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | G856-2643 |
| Compound Name: | 2-{[5-(3-chloro-1-benzothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 417.91 |
| Molecular Formula: | C19 H13 Cl F N3 O S2 |
| Smiles: | Cn1c(c2c(c3ccccc3s2)[Cl])nnc1SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8557 |
| logD: | 4.8557 |
| logSw: | -4.9433 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.044 |
| InChI Key: | MBQXFWJZNDQFBS-UHFFFAOYSA-N |