Home Other Building Blocks 2-(dodecylsulfanyl)-3,4-dihydroquinazolin-4-one

2-(dodecylsulfanyl)-3,4-dihydroquinazolin-4-one

CAS No.:
1311316-90-1
Catalog Number:
AG01AHM7
Molecular Formula:
C20H30N2OS
Molecular Weight:
346.5300
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Product Description
Catalog Number:
AG01AHM7
Chemical Name:
2-(dodecylsulfanyl)-3,4-dihydroquinazolin-4-one
CAS Number:
1311316-90-1
Molecular Formula:
C20H30N2OS
Molecular Weight:
346.5300
MDL Number:
MFCD18785525
IUPAC Name:
2-dodecylsulfanyl-3H-quinazolin-4-one
InChI:
InChI=1S/C20H30N2OS/c1-2-3-4-5-6-7-8-9-10-13-16-24-20-21-18-15-12-11-14-17(18)19(23)22-20/h11-12,14-15H,2-10,13,16H2,1H3,(H,21,22,23)
InChI Key:
WDXYAAWTHSXLEL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSc1nc2ccccc2c(=O)[nH]1
Properties
Complexity:
397  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.208g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
346.533g/mol
Monoisotopic Mass:
346.208g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2  
Properties