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146849-70-9 | 4(3H)-Quinazolinone, 3-phenyl-2-[(phenylmethyl)amino]-
CAS No: 146849-70-9 Catalog No: AG001EDN MDL No:
Product Description
Catalog Number:
AG001EDN
Chemical Name:
4(3H)-Quinazolinone, 3-phenyl-2-[(phenylmethyl)amino]-
CAS Number:
146849-70-9
Molecular Formula:
C21H17N3O
Molecular Weight:
327.3792
IUPAC Name:
2-(benzylamino)-3-phenylquinazolin-4-one
InChI:
InChI=1S/C21H17N3O/c25-20-18-13-7-8-14-19(18)23-21(22-15-16-9-3-1-4-10-16)24(20)17-11-5-2-6-12-17/h1-14H,15H2,(H,22,23)
InChI Key:
IKDFWTAPDHAOAL-UHFFFAOYSA-N
SMILES:
O=c1n(c2ccccc2)c(NCc2ccccc2)nc2c1cccc2
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.137g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.387g/mol
Monoisotopic Mass:
327.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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