Basic information
- CAS
6162-82-9- Standard SMILES
Cc1cc(CSc2cc(Cl)ccc2Cl)c(C)c(C2C(C#N)=C(N)N(c3cccc(Br)c3)C3=C2C(=O)CC(C)(C)C3)c1- InChIKey
AZLJBSCCOSPZCL-UHFFFAOYSA-N- Molecular formula
- C33H30BrCl2N3OS
- Average molar mass
- 667.5 g/mol
- Monoisotopic mass
- 665.067
Names & identifiers
- Preferred name
- 2-amino-1-(3-bromophenyl)-4-[3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
- IUPAC
- 2-amino-1-(3-bromophenyl)-4-[3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Names & synonyms
6162-82-92-amino-1-(3-bromophenyl)-4-[3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrileDTXSID30411544AKOS0038157752-Amino-1-(3-bromophenyl)-4-(3-{[(2,5-dichlorophenyl)sulfanyl]methyl}-2,5-dimethylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Database identifiers
- CAS
6162-82-9- PubChem CID
- 5227630
- DTXSID
DTXSID30411544
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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