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88514-45-8 | 4(3H)-Quinazolinone, 6-bromo-3-[(2-phenyl-1H-indol-3-yl)methyl]-
CAS No: 88514-45-8 Catalog No: AG0048U6 MDL No:
Product Description
Catalog Number:
AG0048U6
Chemical Name:
4(3H)-Quinazolinone, 6-bromo-3-[(2-phenyl-1H-indol-3-yl)methyl]-
CAS Number:
88514-45-8
Molecular Formula:
C23H16BrN3O
Molecular Weight:
430.2966
IUPAC Name:
6-bromo-3-[(2-phenyl-1H-indol-3-yl)methyl]quinazolin-4-one
InChI:
InChI=1S/C23H16BrN3O/c24-16-10-11-20-18(12-16)23(28)27(14-25-20)13-19-17-8-4-5-9-21(17)26-22(19)15-6-2-1-3-7-15/h1-12,14,26H,13H2
InChI Key:
UZEOQPKMJITNRX-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(=O)n(cn2)Cc1c([nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.048g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
430.305g/mol
Monoisotopic Mass:
429.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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