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TD-198946

CAS No.:
364762-86-7
Catalog Number:
AG00D5I4
Molecular Formula:
C27H22N4O3S
Molecular Weight:
482.5536
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
96%
1 week
United States
$240
- +
5mg
96%
1 week
United States
$607
- +
10mg
96%
1 week
United States
$890
- +
50mg
96%
1 week
United States
$2557
- +
100mg
96%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00D5I4
Chemical Name:
TD-198946
CAS Number:
364762-86-7
Molecular Formula:
C27H22N4O3S
Molecular Weight:
482.5536
MDL Number:
MFCD28044311
IUPAC Name:
1-methyl-8-[4-(quinolin-2-ylmethoxy)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide
InChI:
InChI=1S/C27H22N4O3S/c1-31-24-17(14-29-31)7-13-21-23(24)27(35-25(21)26(28)32)34-20-11-9-19(10-12-20)33-15-18-8-6-16-4-2-3-5-22(16)30-18/h2-6,8-12,14H,7,13,15H2,1H3,(H2,28,32)
InChI Key:
QGAMAWMLTUNPAB-UHFFFAOYSA-N
SMILES:
NC(=O)c1sc(c2c1CCc1c2n(C)nc1)Oc1ccc(cc1)OCc1ccc2c(n1)cccc2
Properties
Complexity:
750  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.141g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
482.558g/mol
Monoisotopic Mass:
482.141g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties