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

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

CAS No.:
331971-79-0
Catalog Number:
AG019I61
Molecular Formula:
C13H14N2OS
Molecular Weight:
246.3281
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Product Description
Catalog Number:
AG019I61
Chemical Name:
3-cyclopentyl-2-sulfanyl-3,4-dihydroquinazolin-4-one
CAS Number:
331971-79-0
Molecular Formula:
C13H14N2OS
Molecular Weight:
246.3281
MDL Number:
MFCD01416520
IUPAC Name:
3-cyclopentyl-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C13H14N2OS/c16-12-10-7-3-4-8-11(10)14-13(17)15(12)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,14,17)
InChI Key:
ROEAWMSBZLHPSX-UHFFFAOYSA-N
SMILES:
Sc1nc2ccccc2c(=O)n1C1CCCC1
NSC Number:
176289
Properties
Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.083g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.328g/mol
Monoisotopic Mass:
246.083g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
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