Basic information
- CAS
342778-66-9- Standard SMILES
CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CSc1nnnn1-c1ccccc1- InChIKey
XJPJDNVLMGWTTQ-UHFFFAOYSA-N- Molecular formula
- C24H23N5O5S2
- Average molar mass
- 525.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-(3,4-dimethoxyphenyl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
- IUPAC
- ethyl 4-(3,4-dimethoxyphenyl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
- English name
- ethyl 4-(3,4-dimethoxyphenyl)-2-({[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetyl}amino)-3-thiophenecarboxylate
- Molecular formula
- C24H23N5O5S2
- Molecular weight
- 525.59992
Names & synonyms
ethyl 4-(3,4-dimethoxyphenyl)-2-({[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetyl}amino)-3-thiophenecarboxylateAKOS001022476ethyl 4-(3,4-dimethoxyphenyl)-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylateST50134763AF-399/13909134Z19656664ethyl 4-(3,4-dimethoxyphenyl)-2-[2-(1-phenyl(1,2,3,4-tetraazol-5-ylthio))acety lamino]thiophene-3-carboxylate
Database identifiers
- CAS
342778-66-9
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 731
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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