Basic information
- Standard SMILES
COC(=O)C1C(C)OC(C)CN1S(=O)(=O)c1ccc(OCC#Cc2ccccc2)cc1- InChIKey
ZSFICTCMFUUZCO-UHFFFAOYSA-N- Molecular formula
- C23H25NO6S
- Average molar mass
- 443.5 g/mol
Names & identifiers
- Preferred name
- Methyl 2,6-dimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonylmorpholine-3-carboxylate
- IUPAC
- methyl 2,6-dimethyl-4-[4-(3-phenylprop-2-ynoxy)phenyl]sulfonylmorpholine-3-carboxylate
Database identifiers
- PubChem CID
- 18740976
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 765
Related reactions
1 records
Compound notes
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