n-[4-(2,4-Dichlorophenoxy)butanoyl]tryptophan
Basic information
- CAS
5447-10-9- Standard SMILES
O=C(CCCOc1ccc(Cl)cc1Cl)NC(Cc1c[nH]c2ccccc12)C(=O)O- InChIKey
RDJPYQPSKKRADR-UHFFFAOYSA-N- Molecular formula
- C21H20Cl2N2O4
- Average molar mass
- 435.3 g/mol
- Monoisotopic mass
- 434.0800125
Names & identifiers
- Preferred name
- n-[4-(2,4-Dichlorophenoxy)butanoyl]tryptophan
- IUPAC
- 2-[4-(2,4-dichlorophenoxy)butanoylamino]-3-(1H-indol-3-yl)propanoic acid
Names & synonyms
5447-10-9n-[4-(2,4-dichlorophenoxy)butanoyl]tryptophanNSC16767DTXSID00280426NSC16766NSC16768NSC-16766NSC-16767NSC-16768AKOS002663292
Database identifiers
- CAS
5447-10-9、5462-19-1- PubChem CID
- 226375
- DTXSID
DTXSID00280426
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 565
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Compound notes
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