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Basic information
- Standard SMILES
COCCNC(=O)CNc1c(Cl)cc(CCN[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1Cl- InChIKey
FIYDYNKGDUQLHE-FPTDNZKUSA-N- Molecular formula
- C22H29Cl2N3O4
- Average molar mass
- 470.4 g/mol
- Monoisotopic mass
- 469.1535118
Names & identifiers
- Preferred name
- 2-[[2,6-dichloro-4-[2-[[(1S, 2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]phenyl]amino]-N-(2-methoxyethyl)-acetamide
- IUPAC
- 2-[2,6-dichloro-4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]anilino]-N-(2-methoxyethyl)acetamide
Names & synonyms
SCHEMBL7102019FIYDYNKGDUQLHE-FPTDNZKUSA-N2-[[2,6-dichloro-4-[2-[[(1S, 2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]phenyl]amino]-N-(2-methoxyethyl)-acetamide
Database identifiers
- PubChem CID
- 69989395
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 511
Related reactions
1 records
Compound notes
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