Basic information
- Standard SMILES
COC(=O)c1cc(C#Cc2ccc(-c3ccccc3)cc2)cc(C)c1N(C)S(=O)(=O)c1ccc(OC)cc1- InChIKey
CMZPRLKSFLSAKD-UHFFFAOYSA-N- Molecular formula
- C31H27NO5S
- Average molar mass
- 525.6 g/mol
Names & identifiers
- Preferred name
- 5-Biphenyl-4-ylethynyl-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-3-methyl-benzoic acid methyl ester
- IUPAC
- methyl 2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methyl-5-[2-(4-phenylphenyl)ethynyl]benzoate
Names & synonyms
SCHEMBL7313984CMZPRLKSFLSAKD-UHFFFAOYSA-N5-Biphenyl-4-ylethynyl-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-3-methyl-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 70052888
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 940
Related reactions
1 records
Compound notes
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