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80930-91-2 | 2-homopiperidino-methyl-3-(2-tolyl)-4-(3H)-6-iodoquinazolone
CAS No: 80930-91-2 Catalog No: AG00GDT0 MDL No:
Product Description
Catalog Number:
AG00GDT0
Chemical Name:
2-homopiperidino-methyl-3-(2-tolyl)-4-(3H)-6-iodoquinazolone
CAS Number:
80930-91-2
IUPAC Name:
2-(azepan-1-ylmethyl)-6-iodo-3-(2-methylphenyl)quinazolin-4-one
InChI:
InChI=1S/C22H24IN3O/c1-16-8-4-5-9-20(16)26-21(15-25-12-6-2-3-7-13-25)24-19-11-10-17(23)14-18(19)22(26)27/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3
InChI Key:
CUSBTMBNTIPIBQ-UHFFFAOYSA-N
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.096g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
473.358g/mol
Monoisotopic Mass:
473.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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