2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide
Basic information
- CAS
65749-35-1- Standard SMILES
CCCCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(NC(=O)Nc2ccc(C#N)cc2)c(O)c1- InChIKey
OSUJLNYIBSFLGQ-UHFFFAOYSA-N- Molecular formula
- C36H46N4O4
- Average molar mass
- 598.8 g/mol
- Monoisotopic mass
- 598.35190596
Names & identifiers
- Preferred name
- 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide
- IUPAC
- 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[(4-cyanophenyl)carbamoylamino]-3-hydroxyphenyl]hexanamide
Names & synonyms
SCHEMBL6153534DTXSID3011085852-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamideNS00055058
Database identifiers
- CAS
65749-35-1- PubChem CID
- 13627271
- DTXSID
DTXSID301108585- Nikkaji
- J43.094C
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 966
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Compound notes
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