Thiopyrano(3,2-c)pyrazol-3(2H)-one, 1,5,6,7-tetrahydro-1-(methylcarbonyl)-2-phenyl-, 4-oxide
Basic information
- CAS
124187-81-1- Standard SMILES
CC(=O)n1c2c(c(=O)n1-c1ccccc1)S(=O)CCC2- InChIKey
WYIJYQGXZWLTPH-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3S
- Average molar mass
- 290.34 g/mol
- Monoisotopic mass
- 290.07251349
Names & identifiers
- Preferred name
- Thiopyrano(3,2-c)pyrazol-3(2H)-one, 1,5,6,7-tetrahydro-1-(methylcarbonyl)-2-phenyl-, 4-oxide
- IUPAC
- 1-acetyl-4-oxo-2-phenyl-6,7-dihydro-5H-thiopyrano[3,2-c]pyrazol-3-one
Names & synonyms
124187-81-1Thiopyrano(3,2-c)pyrazol-3(2H)-one, 1,5,6,7-tetrahydro-1-(methylcarbonyl)-2-phenyl-, 4-oxideNSC645087NSC 645087Thiopyrano[3,2-c]pyrazol-3(2H)-one, 1,5,6,7-tetrahydro-1-(methylcarbonyl)-2-phenyl-, 4-oxide1-acetyl-4-oxo-2-phenyl-6,7-dihydro-5H-thiopyrano[3,2-c]pyrazol-3-oneCHEMBL1988255NSC-645087NCI60_015339Thiopyrano[3, 1,5,6,7-tetrahydro-1- (methylcarbonyl)-2-phenyl-, 4-oxide
Database identifiers
- CAS
124187-81-1- PubChem CID
- 371127
- ChEMBL
CHEMBL1988255
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 509
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Compound notes
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