Basic information
- Standard SMILES
COc1ccc(-c2cc(COS(C)(=O)=O)c(=O)n(CC3CC3)n2)cc1F- InChIKey
UUXJWIUUJPKSML-UHFFFAOYSA-N- Molecular formula
- C17H19FN2O5S
- Average molar mass
- 382.4 g/mol
Names & identifiers
- Preferred name
- 2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-4-meth anesulfonyloxymethyl-2H-pyridazin-3-one
- IUPAC
- [2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-3-oxopyridazin-4-yl]methyl methanesulfonate
Names & synonyms
SCHEMBL1926181UUXJWIUUJPKSML-UHFFFAOYSA-N2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-4-meth anesulfonyloxymethyl-2H-pyridazin-3-one2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-4-methane-sulfonyloxymethyl-2H-pyridazin-3-one2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-4-methanes ulfonyloxymethyl-2H-pyridazin-3-one2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-4-methanesulfonyloxymethyl-2H-pyridazin-3-one
Database identifiers
- PubChem CID
- 21991618
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 711
Related reactions
31 records
Compound notes
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