HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 4-(3,4-dimethoxyphenyl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
ethyl 4-(3,4-dimethoxyphenyl)-2-({[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetyl}amino)-3-thiophenecarboxylate
![Ethyl 4-(3,4-dimethoxyphenyl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate molecular structure](/img/chemical/178819852.png)
Identifiers & Physical Properties
| CAS No. | 342778-66-9 |
|---|---|
| Molecular formula | C24H23N5O5S2 |
| Average molar mass | 525.6 g/mol |
| SMILES | CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CSc1nnnn1-c1ccccc1 |
| InChIKey | XJPJDNVLMGWTTQ-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 5.3 |
|---|---|
| Topological polar surface area | 171 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 10 |
| Rotatable bonds | 11 |
| Heavy atoms | 36 |
| Formal charge | 0 |
| Complexity | 731 |