ethyl 1-chloro-4-(2,4-dichlorophenyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- CAS
401651-28-3- Standard SMILES
CCOC(=O)c1ccc2c(c1)C1C(Cl)C(Sc3ccccc3[N+](=O)[O-])CC1C(c1ccc(Cl)cc1Cl)N2- InChIKey
KCDKIKPDHLMOAY-UHFFFAOYSA-N- Molecular formula
- C27H23Cl3N2O4S
- Average molar mass
- 577.9 g/mol
- Monoisotopic mass
- 576.044411
Names & identifiers
- Preferred name
- ethyl 1-chloro-4-(2,4-dichlorophenyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylate
- IUPAC
- ethyl 1-chloro-4-(2,4-dichlorophenyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylate
- English name
- ethyl 1-chloro-4-(2,4-dichlorophenyl)-2-({2-nitrophenyl}sulfanyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylate
- Molecular formula
- C27H23Cl3N2O4S
- Molecular weight
- 577.90652
Names & synonyms
ethyl 1-chloro-4-(2,4-dichlorophenyl)-2-({2-nitrophenyl}sulfanyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylateethyl 1-chloro-4-(2,4-dichlorophenyl)-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylateSTK378100AKOS005448565ethyl 1-chloro-4-(2,4-dichlorophenyl)-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-carboxylateST50246688AG-690/13153087ethyl 4-(2,4-dichlorophenyl)-1-chloro-2-(2-nitrophenylthio)-1,2,3,4,5,3a,9b-he ptahydrocyclopenta[1,2-c]quinoline-8-carboxylate
Database identifiers
- CAS
401651-28-3- PubChem CID
- 3126207
Properties
Computed structural propertiesFilling in
- XLogP
- 7.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 834
Related reactions
0 records
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Compound notes
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