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BTT 3033

CAS No.:
1259028-99-3
Catalog Number:
AG00IMDT
Molecular Formula:
C23H20FN5O3S
Molecular Weight:
465.5000
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
>96.0%(HPLC)
1 week
United States
$466
- +
50mg
>96.0%(HPLC)
1 week
United States
$1319
- +
Product Description
Catalog Number:
AG00IMDT
Chemical Name:
BTT 3033
CAS Number:
1259028-99-3
Molecular Formula:
C23H20FN5O3S
Molecular Weight:
465.5000
MDL Number:
MFCD28166480
IUPAC Name:
1-[4-[[1-(4-fluorophenyl)pyrazol-4-yl]sulfonyl-methylamino]phenyl]-3-phenylurea
InChI:
InChI=1S/C23H20FN5O3S/c1-28(33(31,32)22-15-25-29(16-22)21-11-7-17(24)8-12-21)20-13-9-19(10-14-20)27-23(30)26-18-5-3-2-4-6-18/h2-16H,1H3,(H2,26,27,30)
InChI Key:
NSLIQOPYDUKWTA-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)Nc1ccc(cc1)N(S(=O)(=O)c1cnn(c1)c1ccc(cc1)F)C
Properties
Complexity:
742  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.127g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
465.503g/mol
Monoisotopic Mass:
465.127g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties