Basic information
- CAS
88935-35-7- Standard SMILES
CCCCS(=O)(=O)c1ccc(NC(=O)Nc2ccc(NC(=O)C(CC)Oc3ccc(C(C)(C)CC)cc3C(C)(C)CC)cc2O)cc1- InChIKey
LNGIQJZUIYTAHC-UHFFFAOYSA-N- Molecular formula
- C37H51N3O6S
- Average molar mass
- 665.9 g/mol
- Monoisotopic mass
- 665.34985753
Overview
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Names & identifiers
- Preferred name
- 2-[2,4-Bis(2-methylbutan-2-yl)phenoxy]-N-[4-({[4-(butane-1-sulfonyl)phenyl]carbamoyl}amino)-3-hydroxyphenyl]butanamide
- IUPAC
- 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[(4-butylsulfonylphenyl)carbamoylamino]-3-hydroxyphenyl]butanamide
- English name
- 2-(2,4-Di-tert-pentylphenoxy)-N-[4-[3-[4-(butylsulfonyl)phenyl]ureido]-3-hydroxyphenyl]butanamide
- Molecular formula
- C37H51N3O6S
- Molecular weight
- 0
Names & synonyms
2-[2,4-Bis(2-methylbutan-2-yl)phenoxy]-N-[4-({[4-(butane-1-sulfonyl)phenyl]carbamoyl}amino)-3-hydroxyphenyl]butanamideDTXSID00545360LNGIQJZUIYTAHC-UHFFFAOYSA-N88935-35-7N-[4-[3-[4-(Butylsulfonyl)phenyl]ureido]-3-hydroxyphenyl]-2-(2,4-di-tert-pentylphenoxy)butanamide2-(2,4-Di-tert-pentylphenoxy)-N-[4-[3-[4-(butylsulfonyl)phenyl]ureido]-3-hydroxyphenyl]butanamide2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[(4-butylsulfonylphenyl)carbamoylamino]-3-hydroxyphenyl]butanamide
Database identifiers
- CAS
88935-35-7- PubChem CID
- 13627273
- DTXSID
DTXSID00545360- Nikkaji
- J93.615D
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
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Compound notes
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