Basic information
- Standard SMILES
CCOC(=O)c1ccc(N=Nc2ccc3c(c2)C(c2cccs2)=CCC3(C)C)cc1- InChIKey
PHXDBMHPCFOZPA-UHFFFAOYSA-N- Molecular formula
- C25H24N2O2S
- Average molar mass
- 416.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[(5,5-dimethyl-8-(2-thienyl)-5,6-dihydronaphthalen-2-yl)azo]benzoate
- IUPAC
- ethyl 4-[(5,5-dimethyl-8-thiophen-2-yl-6H-naphthalen-2-yl)diazenyl]benzoate
Names & synonyms
SCHEMBL6292454SCHEMBL6292455PHXDBMHPCFOZPA-UHFFFAOYSA-NEthyl 4- [(5,5-dimethyl-8-(2-thienyl)-5,6-dihydronaphthalen-2-yl)azo]benzoateEthyl 4-[(5,5-dimethyl-8-(2-thienyl)-5,6-dihydronaphthalen-2-vl)azo]benzoateEthyl 4-[(5,5-dimethyl-8-(2-thienyl)-5,6-dihydronaphthalen-2-yl)azo]benzoateEthyl 4-[(5,5-dimethyl-8-(2-thienyl)-5.6-dihydronaphthalen-2yl)azo]benzoateEthyl 4-[(5.5-dimethyl-8-(2-thienyl)-5,6-dihydronaphthalen-2-yl)azo]benzoate
Database identifiers
- PubChem CID
- 13006282
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 666
Related reactions
19 records
Linked notes
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