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918154-63-9 | 4(3H)-Quinazolinone, 3-(5-methoxy-2-benzothiazolyl)-2-phenyl-
CAS No: 918154-63-9 Catalog No: AG006LAQ MDL No:
Product Description
Catalog Number:
AG006LAQ
Chemical Name:
4(3H)-Quinazolinone, 3-(5-methoxy-2-benzothiazolyl)-2-phenyl-
CAS Number:
918154-63-9
Molecular Formula:
C22H15N3O2S
Molecular Weight:
385.4384
IUPAC Name:
3-(5-methoxy-1,3-benzothiazol-2-yl)-2-phenylquinazolin-4-one
InChI:
InChI=1S/C22H15N3O2S/c1-27-15-11-12-19-18(13-15)24-22(28-19)25-20(14-7-3-2-4-8-14)23-17-10-6-5-9-16(17)21(25)26/h2-13H,1H3
InChI Key:
IMFQLRJEQYJKQT-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(s2)n1c(nc2c(c1=O)cccc2)c1ccccc1
Properties
Complexity:
621
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.088g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.441g/mol
Monoisotopic Mass:
385.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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