methyl [(3-chloro-6-nitro-2-phenyl-1-benzothiophen-4-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(3-chloro-6-nitro-2-phenyl-1-benzothiophen-4-yl)sulfanyl]acetate
methyl [(3-chloro-6-nitro-2-phenyl-1-benzothiophen-4-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8019-6369 |
| Compound Name: | methyl [(3-chloro-6-nitro-2-phenyl-1-benzothiophen-4-yl)sulfanyl]acetate |
| Molecular Weight: | 393.87 |
| Molecular Formula: | C17 H12 Cl N O4 S2 |
| Smiles: | COC(CSc1cc(cc2c1c(c(c1ccccc1)s2)[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1082 |
| logD: | 5.1082 |
| logSw: | -5.6211 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.674 |
| InChI Key: | QTEKZHIFAPKEAJ-UHFFFAOYSA-N |