Basic information
- CAS
313690-26-5- Standard SMILES
O=C(C=Cc1ccc(OCc2ccccc2)cc1)NCc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1- InChIKey
ZSYCJKUTPWYRGG-UHFFFAOYSA-N- Molecular formula
- C34H31N3O3
- Average molar mass
- 529.6 g/mol
- Monoisotopic mass
- 529.23654186
Names & identifiers
- Preferred name
- N-[2-(1H-Indol-3-yl)ethyl]-4-[[[1-oxo-3-[4-(phenylmethoxy)phenyl]-2-propen-1-yl]amino]methyl]benzamide
- IUPAC
- N-[2-(1H-indol-3-yl)ethyl]-4-[[3-(4-phenylmethoxyphenyl)prop-2-enoylamino]methyl]benzamide
Names & synonyms
DTXSID701112497313690-26-5N-[2-(1H-Indol-3-yl)ethyl]-4-[[[1-oxo-3-[4-(phenylmethoxy)phenyl]-2-propen-1-yl]amino]methyl]benzamideNCI60_0365954-[({3-[4-(Benzyloxy)phenyl]prop-2-enoyl}amino)methyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide
Database identifiers
- CAS
313690-26-5- PubChem CID
- 396335
- DTXSID
DTXSID701112497
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 809
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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