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81762-59-6 | 3-(4-METHOXY-1,3-BENZOTHIAZOL-2-YL)-2-METHYL-4(3H)-QUINAZOLINONE
CAS No: 81762-59-6 Catalog No: AG005I2E MDL No:
Product Description
Catalog Number:
AG005I2E
Chemical Name:
3-(4-METHOXY-1,3-BENZOTHIAZOL-2-YL)-2-METHYL-4(3H)-QUINAZOLINONE
CAS Number:
81762-59-6
Molecular Formula:
C17H13N3O2S
Molecular Weight:
323.3690
IUPAC Name:
3-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylquinazolin-4-one
InChI:
InChI=1S/C17H13N3O2S/c1-10-18-12-7-4-3-6-11(12)16(21)20(10)17-19-15-13(22-2)8-5-9-14(15)23-17/h3-9H,1-2H3
InChI Key:
SBHZQFWKHMGMJI-UHFFFAOYSA-N
SMILES:
COc1cccc2c1nc(s2)n1c(C)nc2c(c1=O)cccc2
UNII:
G4ZN06GP9Q
NSC Number:
373533
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.073g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.37g/mol
Monoisotopic Mass:
323.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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