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18741-40-7 | 4(1H)-Quinazolinone, 2,3-dihydro-6-iodo-3-(3-methylphenyl)-2-thioxo-
CAS No: 18741-40-7 Catalog No: AG007RXQ MDL No:
Product Description
Catalog Number:
AG007RXQ
Chemical Name:
4(1H)-Quinazolinone, 2,3-dihydro-6-iodo-3-(3-methylphenyl)-2-thioxo-
CAS Number:
18741-40-7
Molecular Formula:
C15H11IN2OS
Molecular Weight:
394.2301
IUPAC Name:
6-iodo-3-(3-methylphenyl)-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C15H11IN2OS/c1-9-3-2-4-11(7-9)18-14(19)12-8-10(16)5-6-13(12)17-15(18)20/h2-8H,1H3,(H,17,20)
InChI Key:
YBNILFZCKOHQSL-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)n1c(=S)[nH]c2c(c1=O)cc(cc2)I
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.964g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.23g/mol
Monoisotopic Mass:
393.964g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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