Basic information
- CAS
338413-85-7- Standard SMILES
COc1ccc(-n2ncc(N3CCc4c(sc(N)c4C#N)C3)c(Cl)c2=O)cc1- InChIKey
YGVGRMBEBNMXLY-UHFFFAOYSA-N- Molecular formula
- C19H16ClN5O2S
- Average molar mass
- 413.9 g/mol
Names & identifiers
- Preferred name
- 2-Amino-6-(5-chloro-1-(4-methoxyphenyl)-6-oxo-1,6-dihydro-4-pyridazinyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
- IUPAC
- 2-amino-6-[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
- English name
- 2-Amino-6-[5-chloro-1-(4-methoxyphenyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
- Molecular formula
- C19H16ClN5O2S
- Molecular weight
- 413.88
Names & synonyms
338413-85-72-Amino-6-(5-chloro-1-(4-methoxyphenyl)-6-oxo-1,6-dihydro-4-pyridazinyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile2-amino-6-[5-chloro-1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-4-yl]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carbonitrile2-amino-6-[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrileOprea1_846883AKOS0050884813L-9112-amino-6-(5-chloro-1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-4-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile2-Amino-6-[5-chloro-1-(4-methoxyphenyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrileThieno[2,3-c]pyridine-3-carbonitrile, 2-amino-6-[5-chloro-1,6-dihydro-1-(4-methoxyphenyl)-6-oxo-4-pyridazinyl]-4,5,6,7-tetrahydro-
Database identifiers
- CAS
338413-85-7
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 742
Physicochemical properties
- Boiling point
- 637.9 · 637.9±65.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- -0.32 · -0.32±0.20(Predicted)
Chemistry & industry
Suppliers2 total
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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