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Home Other Building Blocks 3-cyclopropyl-2-sulfanyl-3,4-dihydroquinazolin-4-one

3-cyclopropyl-2-sulfanyl-3,4-dihydroquinazolin-4-one

CAS No.:
146381-56-8
Catalog Number:
AG019OKC
Molecular Formula:
C11H10N2OS
Molecular Weight:
218.2749
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Product Description
Catalog Number:
AG019OKC
Chemical Name:
3-cyclopropyl-2-sulfanyl-3,4-dihydroquinazolin-4-one
CAS Number:
146381-56-8
Molecular Formula:
C11H10N2OS
Molecular Weight:
218.2749
MDL Number:
MFCD04969883
IUPAC Name:
3-cyclopropyl-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C11H10N2OS/c14-10-8-3-1-2-4-9(8)12-11(15)13(10)7-5-6-7/h1-4,7H,5-6H2,(H,12,15)
InChI Key:
HXZKZIDCGWOBNU-UHFFFAOYSA-N
SMILES:
Sc1nc2ccccc2c(=O)n1C1CC1
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.051g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.274g/mol
Monoisotopic Mass:
218.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties