Basic information
- CAS
723745-67-3- Standard SMILES
CC(=O)c1ccc(-n2nnc3c(sc4nc5ccccc5cc43)c2=O)cc1- InChIKey
LVFILXGIDSGOIH-UHFFFAOYSA-N- Molecular formula
- C20H12N4O2S
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.06809681
Names & identifiers
- Preferred name
- 3-(4-acetylphenyl)[1,2,3]triazino[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-one
- IUPAC
- 14-(4-acetylphenyl)-17-thia-2,12,13,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one
- English name
- 3-(4-acetylphenyl)[1,2,3]triazino[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-one
- Molecular formula
- C20H12N4O2S
- Molecular weight
- 372.39988
Names & synonyms
3-(4-acetylphenyl)[1,2,3]triazino[4',5':4,5]thieno[2,3-b]quinolin-4(3H)-oneAO-799/4200806014-(4-acetylphenyl)-17-thia-2,12,13,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one
Database identifiers
- CAS
723745-67-3- PubChem CID
- 990710
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 648
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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