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89638-34-6 | 8-Quinazolinecarbonitrile, 1,4-dihydro-4-methyl-6,7-diphenyl-
CAS No: 89638-34-6 Catalog No: AG003WI5 MDL No:
Product Description
Catalog Number:
AG003WI5
Chemical Name:
8-Quinazolinecarbonitrile, 1,4-dihydro-4-methyl-6,7-diphenyl-
CAS Number:
89638-34-6
Molecular Formula:
C22H17N3
Molecular Weight:
323.3905
IUPAC Name:
4-methyl-6,7-diphenyl-1,4-dihydroquinazoline-8-carbonitrile
InChI:
InChI=1S/C22H17N3/c1-15-18-12-19(16-8-4-2-5-9-16)21(17-10-6-3-7-11-17)20(13-23)22(18)25-14-24-15/h2-12,14-15H,1H3,(H,24,25)
InChI Key:
KRAANSPQXQFPDR-UHFFFAOYSA-N
SMILES:
N#Cc1c(c2ccccc2)c(cc2c1NC=NC2C)c1ccccc1
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.142g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.399g/mol
Monoisotopic Mass:
323.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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