5-[1-(3-Phenyl-allyl)-1H-indol-3-yl]-4-(7-phenyl-heptanoylamino)-pent-2-enoic acid methyl ester
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Basic information
- Standard SMILES
COC(=O)C=CC(Cc1cn(CC=Cc2ccccc2)c2ccccc12)NC(=O)CCCCCCc1ccccc1- InChIKey
PVCKWXQWDCVNDL-UHFFFAOYSA-N- Molecular formula
- C36H40N2O3
- Average molar mass
- 548.7 g/mol
Names & identifiers
- Preferred name
- 5-[1-(3-Phenyl-allyl)-1H-indol-3-yl]-4-(7-phenyl-heptanoylamino)-pent-2-enoic acid methyl ester
- IUPAC
- methyl 4-(7-phenylheptanoylamino)-5-[1-(3-phenylprop-2-enyl)indol-3-yl]pent-2-enoate
Names & synonyms
SCHEMBL5353139PVCKWXQWDCVNDL-UHFFFAOYSA-N5-[1-(3-Phenyl-allyl)-1H-indol-3-yl]-4-(7-phenyl-heptanoylamino)-pent-2-enoic acid methyl ester
Database identifiers
- PubChem CID
- 69414633
Properties
Computed structural propertiesFilling in
- XLogP
- 7.9
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 827
Related reactions
2 records
Compound notes
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