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76244-46-7 | 2-PHENYL-3-(1,3-THIAZOL-2-YL)-4(3H)-QUINAZOLINONE
CAS No: 76244-46-7 Catalog No: AG00570Y MDL No:
Product Description
Catalog Number:
AG00570Y
Chemical Name:
2-PHENYL-3-(1,3-THIAZOL-2-YL)-4(3H)-QUINAZOLINONE
CAS Number:
76244-46-7
Molecular Formula:
C17H11N3OS
Molecular Weight:
305.3537
IUPAC Name:
2-phenyl-3-(1,3-thiazol-2-yl)quinazolin-4-one
InChI:
InChI=1S/C17H11N3OS/c21-16-13-8-4-5-9-14(13)19-15(12-6-2-1-3-7-12)20(16)17-18-10-11-22-17/h1-11H
InChI Key:
SCAGTMXIFFGCAD-UHFFFAOYSA-N
SMILES:
O=c1n(c2nccs2)c(nc2c1cccc2)c1ccccc1
UNII:
3GZ0MO4Z94
NSC Number:
353075
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.062g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.355g/mol
Monoisotopic Mass:
305.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Identification of novel quinazolin-4(3H)-ones as inhibitors of thermolysin, the prototype of the M4 family of proteinases. | Bioorganic & medicinal chemistry 20100615 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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