4-({2-[2,2-Di(1h-indol-3-yl)ethyl]phenyl}amino)-2-methylidene-4-oxobutanoic acid
Basic information
- CAS
6941-74-8- Standard SMILES
C=C(CC(=O)Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12)C(=O)O- InChIKey
BXSFLRNPAFZVJD-UHFFFAOYSA-N- Molecular formula
- C29H25N3O3
- Average molar mass
- 463.5 g/mol
- Monoisotopic mass
- 463.18959167
Names & identifiers
- Preferred name
- 4-({2-[2,2-Di(1h-indol-3-yl)ethyl]phenyl}amino)-2-methylidene-4-oxobutanoic acid
- IUPAC
- 4-[2-[2,2-bis(1H-indol-3-yl)ethyl]anilino]-2-methylidene-4-oxobutanoic acid
Names & synonyms
6941-74-84-((2-(2,2-Di(1H-indol-3-yl)ethyl)phenyl)amino)-2-methylene-4-oxobutanoic acid4-({2-[2,2-di(1h-indol-3-yl)ethyl]phenyl}amino)-2-methylidene-4-oxobutanoic acidNSC38314DTXSID00284686NSC 38314NSC-38314DS-0127542-[[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]carbamoylmethyl]prop-2-enoic acid4-{2-[2,2-Di(1H-indol-3-yl)ethyl]anilino}-2-methylidene-4-oxobutanoic acid
Database identifiers
- CAS
6941-74-8- PubChem CID
- 236192
- DTXSID
DTXSID00284686
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 753
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Compound notes
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