Basic information
- Standard SMILES
COc1cc(OCCCN2CCOCC2)c(C=CC(=O)c2ccc(C(N)=O)cc2)cc1-c1cccs1- InChIKey
IXRVPCNCMWLVFX-UHFFFAOYSA-N- Molecular formula
- C28H30N2O5S
- Average molar mass
- 506.6 g/mol
- Monoisotopic mass
- 506.18754324
Names & identifiers
- Preferred name
- 4-[3-[4-Methoxy-2-(3-morpholin-4-ylpropoxy)-5-thiophen-2-ylphenyl]prop-2-enoyl]benzamide
- IUPAC
- 4-[3-[4-methoxy-2-(3-morpholin-4-ylpropoxy)-5-thiophen-2-ylphenyl]prop-2-enoyl]benzamide
Names & synonyms
SCHEMBL6040488
Database identifiers
- PubChem CID
- 69645797
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 735
Related reactions
1 records
Compound notes
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