2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,4-dichlorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,4-dichlorophenyl)ethan-1-one
2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,4-dichlorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | G856-2647 |
| Compound Name: | 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,4-dichlorophenyl)ethan-1-one |
| Molecular Weight: | 498.84 |
| Molecular Formula: | C20 H14 Cl3 N3 O2 S2 |
| Smiles: | Cn1c(c2c(c3ccc(cc3s2)OC)[Cl])nnc1SCC(c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.3855 |
| logD: | 6.3855 |
| logSw: | -6.4551 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.588 |
| InChI Key: | CCBNGUMBKPFWJR-UHFFFAOYSA-N |