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Basic information
- Standard SMILES
CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1O)C(C)C- InChIKey
QFWQOMWVGRRQSE-VQOCUYOESA-N- Molecular formula
- C40H61N3O6S
- Average molar mass
- 712 g/mol
- Monoisotopic mass
- 711.42810785
Names & identifiers
- Preferred name
- N-(5-((R)-2-(6-(4-(3-((R)-3-(diisopropylamino)-1-phenylpropyl)-4-hydroxyphenyl)butoxy)hexylamino)-1-hydroxyethyl)-2-hydroxyphenyl)methanesulfonamide
- IUPAC
- N-[5-[(1R)-2-[6-[4-[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxyphenyl]butoxy]hexylamino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
Names & synonyms
CHEMBL1773266SCHEMBL4154414QFWQOMWVGRRQSE-VQOCUYOESA-NBDBM50343160N-(5-((R)-2-(6-(4-(3-((R)-3-(diisopropylamino)-1-phenylpropyl)-4-hydroxyphenyl)butoxy)hexylamino)-1-hydroxyethyl)-2-hydroxyphenyl)methanesulfonamideN-{5-[(1R)-2-{[6-(4-{3-[(1R)-3-(Diisopropylamino)-1-phenylpropyl]-4-hydroxyphenyl}butoxy)hexyl]amino}-1-hydroxyethyl]-2-hydroxyphenyl}methanesulfonamide
Database identifiers
- PubChem CID
- 54582151
- ChEMBL
CHEMBL1773266
Properties
Computed structural propertiesFilling in
- XLogP
- 6.6
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 24
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 980
Related reactions
1 records
Compound notes
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