2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | G856-2626 |
| Compound Name: | 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one |
| Molecular Weight: | 526.46 |
| Molecular Formula: | C25 H17 Cl2 N3 O2 S2 |
| Smiles: | COc1ccc2c(c(c3nnc(n3c3ccccc3)SCC(c3ccc(cc3)[Cl])=O)sc2c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.0805 |
| logD: | 7.0805 |
| logSw: | -6.5073 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.25 |
| InChI Key: | UUBXERFCGQHPIU-UHFFFAOYSA-N |