Home Other Building Blocks Dubs-in-1

Dubs-in-1

CAS No.:
924296-18-4
Catalog Number:
AG00GU32
Molecular Formula:
C20H11N5O
Molecular Weight:
337.3342
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$640
- +
10mg
99%
1 week
United States
$890
- +
50mg
99%
1 week
United States
$2557
- +
100mg
99%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00GU32
Chemical Name:
Dubs-in-1
CAS Number:
924296-18-4
Molecular Formula:
C20H11N5O
Molecular Weight:
337.3342
MDL Number:
MFCD11977746
IUPAC Name:
(9E)-9-phenylmethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
InChI:
InChI=1S/C20H11N5O/c21-10-16-17(11-22)24-20-18(23-16)14-8-4-5-9-15(14)19(20)25-26-12-13-6-2-1-3-7-13/h1-9H,12H2/b25-19+
InChI Key:
GKOWDIBLCDZJHF-NCELDCMTSA-N
SMILES:
N#Cc1nc2C(=NOCc3ccccc3)c3c(c2nc1C#N)cccc3
Properties
Complexity:
637  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
337.096g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.342g/mol
Monoisotopic Mass:
337.096g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties