Basic information
- CAS
6205-56-7- Standard SMILES
CCOC(=O)c1c(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)sc(C)c1C- InChIKey
GCBOERUABCYZRI-UHFFFAOYSA-N- Molecular formula
- C18H24N4O5S
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.14674105
Names & identifiers
- Preferred name
- Ethyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-4,5-dimethylthiophene-3-carboxylate
- IUPAC
- ethyl 2-[4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanoylamino]-4,5-dimethylthiophene-3-carboxylate
Names & synonyms
Ethyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-4,5-dimethylthiophene-3-carboxylate6205-56-7ethyl 2-[4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanoylamino]-4,5-dimethylthiophene-3-carboxylateDTXSID80411771AKOS001493810EU-0089239
Database identifiers
- CAS
6205-56-7- PubChem CID
- 5230765
- DTXSID
DTXSID80411771
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 587
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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