Basic information
- Standard SMILES
CC#CCOc1ccc(S(=O)(=O)N2CC(C)OC(C)C2C(=O)OC)cc1- InChIKey
KSMFGNSEWNDCGG-UHFFFAOYSA-N- Molecular formula
- C18H23NO6S
- Average molar mass
- 381.4 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-2,6-dimethylmorpholine-3-carboxylate
- IUPAC
- methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-2,6-dimethylmorpholine-3-carboxylate
Database identifiers
- PubChem CID
- 18740979
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 650
Related reactions
1 records
Compound notes
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