Basic information
- Standard SMILES
O=C(/C=C/c1ccn(S(=O)(=O)c2cccc(-c3ccc(OCCCN4CCOCC4)cc3)c2)c1)NOC1CCCCO1- InChIKey
MSXYEENGRLPRKB-MDWZMJQESA-N- Molecular formula
- C31H37N3O7S
- Average molar mass
- 595.7 g/mol
- Monoisotopic mass
- 595.2352217
Names & identifiers
- Preferred name
- (E)-3-{1-[4'-(3-Morpholin-4-yl-propoxy)-biphenyl-3-sulfonyl]-1H-pyrrol-3-yl}-N-(tetrahydro-pyran-2-yloxy)-acrylamide
- IUPAC
- (E)-3-[1-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]-N-(oxan-2-yloxy)prop-2-enamide
Names & synonyms
SCHEMBL3135813MSXYEENGRLPRKB-MDWZMJQESA-N(E)-3-{1-[4'-(3-Morpholin-4-yl-propoxy)-biphenyl-3-sulfonyl]-1H-pyrrol-3-yl}-N-(tetrahydro-pyran-2-yloxy)-acrylamide
Database identifiers
- PubChem CID
- 86640144
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 960
Related reactions
1 records
Compound notes
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