Basic information
- CAS
42069-72-7- Standard SMILES
CCOC(Nc1ccc(SC)cc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1- InChIKey
FALVILQYMRNRNL-UHFFFAOYSA-N- Molecular formula
- C17H17ClN2O4S
- Average molar mass
- 380.8 g/mol
- Monoisotopic mass
- 380.0597559
Names & identifiers
- Preferred name
- Ethanone, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)-
- IUPAC
- 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-(4-methylsulfanylanilino)ethanone
Names & synonyms
BRN 30141931-(4-Chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)ethanone42069-72-7Ketone, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)-ETHANONE, 1-(4-CHLORO-3-NITROPHENYL)-2-ETHOXY-2-((4-(METHYLTHIO)PHENYL)AMINO)-RefChem:341215DTXSID109622611-(4-Chloro-3-nitrophenyl)-2-ethoxy-2-[4-(methylsulfanyl)anilino]ethan-1-one
Database identifiers
- CAS
42069-72-7- PubChem CID
- 39134
- DTXSID
DTXSID10962261
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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