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83315-78-0 | N-[[(3-CHLOROPHENYL)AMINO]CARBONYL]-2-[[6,8-DIBROMO-3,4-DIHYDRO-3-(2-METHYLPHENYL)-4-OXO-2-QUINAZOLINYL]THIO]-ACETAMIDE
CAS No: 83315-78-0 Catalog No: AG004T0N MDL No:
Product Description
Catalog Number:
AG004T0N
Chemical Name:
N-[[(3-CHLOROPHENYL)AMINO]CARBONYL]-2-[[6,8-DIBROMO-3,4-DIHYDRO-3-(2-METHYLPHENYL)-4-OXO-2-QUINAZOLINYL]THIO]-ACETAMIDE
CAS Number:
83315-78-0
Molecular Formula:
C24H17Br2ClN4O3S
Molecular Weight:
636.7428
IUPAC Name:
N-[(3-chlorophenyl)carbamoyl]-2-[6,8-dibromo-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
InChI:
InChI=1S/C24H17Br2ClN4O3S/c1-13-5-2-3-8-19(13)31-22(33)17-9-14(25)10-18(26)21(17)30-24(31)35-12-20(32)29-23(34)28-16-7-4-6-15(27)11-16/h2-11H,12H2,1H3,(H2,28,29,32,34)
InChI Key:
FYBJSUFOHSYPAB-UHFFFAOYSA-N
SMILES:
O=C(NC(=O)Nc1cccc(c1)Cl)CSc1nc2c(Br)cc(cc2c(=O)n1c1ccccc1C)Br
NSC Number:
373531
Properties
Complexity:
850
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
635.906g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
636.743g/mol
Monoisotopic Mass:
633.908g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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