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Basic information
- Standard SMILES
COC(=O)C(C)(C)c1ccc(CNc2cccc(-c3c(-c4ccccc4)nnc4c(Cl)cccc34)c2)cc1- InChIKey
MDKUUEHIJBWSDU-UHFFFAOYSA-N- Molecular formula
- C32H28ClN3O2
- Average molar mass
- 522 g/mol
Names & identifiers
- Preferred name
- Methyl 2-[4-({[3-(8-chloro-3-phenylcinnolin-4-yl)phenyl]amino}methyl)phenyl]-2-methylpropanoate
- IUPAC
- methyl 2-[4-[[3-(8-chloro-3-phenylcinnolin-4-yl)anilino]methyl]phenyl]-2-methylpropanoate
Names & synonyms
SCHEMBL3279777MDKUUEHIJBWSDU-UHFFFAOYSA-NMethyl 2-[4-({[3-(8-chloro-3-phenylcinnolin-4-yl)phenyl]amino}methyl)phenyl]-2-methylpropanoate
Database identifiers
- PubChem CID
- 11855893
Properties
Computed structural propertiesFilling in
- XLogP
- 7.3
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 764
Related reactions
2 records
Compound notes
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