Basic information
- CAS
442869-69-4- Standard SMILES
CN(C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccccc1- InChIKey
MBJKBTPQMYWEOC-UHFFFAOYSA-N- Molecular formula
- C24H21N3O2S
- Average molar mass
- 415.5 g/mol
Names & identifiers
- Preferred name
- 2-[(3-benzyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
- IUPAC
- 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylacetamide
- English name
- 2-[(3-benzyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
- Molecular formula
- C24H21N3O2S
- Molecular weight
- 415.51
Names & synonyms
2-[(3-benzyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-methyl-N-phenylacetamide2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-phenylacetamideChemDiv2_005188Cambridge id 7116398Oprea1_602049HMS1383L18STK131038AKOS001747327IDI1_003903ST045128AG-205/40649363SR-01000533235
Show more names
Acetamide, 2-[[3,4-dihydro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]-N-methyl-N-phenyl-
SR-01000533235-1N-methyl-2-[4-oxo-3-benzyl(3-hydroquinazolin-2-ylthio)]-N-phenylacetamide2-[(3-benzyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio]-N-methyl-N-phenylacetamide442869-69-4
Database identifiers
- CAS
442869-69-4
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 640
Physicochemical properties
- Boiling point
- 600.6 · 600.6±65.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 0.38 · 0.38±0.50(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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