3-Phenyl-2-propen-1-yl 1,4,5,6-tetrahydro-6-oxo-1-(tetrahydro-1,1-dioxido-3-thienyl)-3-pyridazinecarboxylate
Basic information
- CAS
1000931-53-2- Standard SMILES
O=C(OCC=Cc1ccccc1)C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1- InChIKey
NBMLNWVDVTTYLO-UHFFFAOYSA-N- Molecular formula
- C18H20N2O5S
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.10929292
Names & identifiers
- Preferred name
- 3-Phenyl-2-propen-1-yl 1,4,5,6-tetrahydro-6-oxo-1-(tetrahydro-1,1-dioxido-3-thienyl)-3-pyridazinecarboxylate
- IUPAC
- 3-phenylprop-2-enyl 1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxylate
Names & synonyms
1000931-53-23-Phenyl-2-propen-1-yl 1,4,5,6-tetrahydro-6-oxo-1-(tetrahydro-1,1-dioxido-3-thienyl)-3-pyridazinecarboxylateDTXSID001109184AKOS030754561
Database identifiers
- CAS
1000931-53-2- PubChem CID
- 72099732
- DTXSID
DTXSID001109184
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 702
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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