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82450-46-2 | 4(3H)-Quinazolinone, 3-(6-ethoxy-2-benzothiazolyl)-2-phenyl-
CAS No: 82450-46-2 Catalog No: AG0059KA MDL No:
Product Description
Catalog Number:
AG0059KA
Chemical Name:
4(3H)-Quinazolinone, 3-(6-ethoxy-2-benzothiazolyl)-2-phenyl-
CAS Number:
82450-46-2
Molecular Formula:
C23H17N3O2S
Molecular Weight:
399.4650
IUPAC Name:
3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenylquinazolin-4-one
InChI:
InChI=1S/C23H17N3O2S/c1-2-28-16-12-13-19-20(14-16)29-23(25-19)26-21(15-8-4-3-5-9-15)24-18-11-7-6-10-17(18)22(26)27/h3-14H,2H2,1H3
InChI Key:
VGWPUESBTIGJAP-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)sc(n2)n1c(nc2c(c1=O)cccc2)c1ccccc1
Properties
Complexity:
636
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.104g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.468g/mol
Monoisotopic Mass:
399.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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