Basic information
- CAS
499104-33-5- Standard SMILES
CN(C)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1- InChIKey
KDYPIGJTVIJGAO-UHFFFAOYSA-N- Molecular formula
- C24H21BrN4O2S
- Average molar mass
- 509.4 g/mol
- Monoisotopic mass
- 508.05686
Names & identifiers
- Preferred name
- 2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
- IUPAC
- 2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
- English name
- 2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
- Molecular formula
- C24H21BrN4O2S
- Molecular weight
- 509.42
Names & synonyms
ZINC11054642-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide499104-33-5MFCD03224202STK019951ZINC01105464AKOS002173998ZINC000001105464ST50060580O=C(Nc1ccc(cc1)N(C)C)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br2((3(4bromophenyl)4oxo34dihydroquinazolin2yl)thio)N(4(dimethylamino)phenyl)acetamide2(3(4bromophenyl)4oxoquinazolin2yl)sulfanylN(4(dimethylamino)phenyl)acetamide
Show more names
2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(dimethylamino)phenyl]acetamideAcetamide, 2-[[3-(4-bromophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl]thio]-N-[4-(dimethylamino)phenyl]-
2(3(4BROMOPHENYL)4OXOQUINAZOLIN2YL)SULFANYLN(4DIMETHYLAMINOPHENYL)ACETAMIDECN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)BrN(4(DIMETHYLAMINO)PHENYL)2(3(4BROMOPHENYL)4OXO(3HYDROQUINAZOLIN2YLTHIO))ACETAMIDE2((3(4BROMOPHENYL)4OXO34DIHYDROQUINAZOLIN2YL)SULFANYL)N(4(DIMETHYLAMINO)PHENYL)ACETAMIDE2-((3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamideN-[4-(dimethylamino)phenyl]-2-[3-(4-bromophenyl)-4-oxo(3-hydroquinazolin-2-ylt hio)]acetamide
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 702
Physicochemical properties
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 12.82 · 12.82±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers3 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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