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88152-00-5 | 2-PHENYL-3-(4-(PYRIMIDIN-2-YL-AMINOSULFONYL)PHENYLHYDRAZINYL)INDOLE
CAS No: 88152-00-5 Catalog No: AG004D2V MDL No:
Product Description
Catalog Number:
AG004D2V
Chemical Name:
2-PHENYL-3-(4-(PYRIMIDIN-2-YL-AMINOSULFONYL)PHENYLHYDRAZINYL)INDOLE
CAS Number:
88152-00-5
Molecular Formula:
C24H20N6O2S
Molecular Weight:
456.5196
IUPAC Name:
4-[2-(2-phenyl-1H-indol-3-yl)hydrazinyl]-N-pyrimidin-2-ylbenzenesulfonamide
InChI:
InChI=1S/C24H20N6O2S/c31-33(32,30-24-25-15-6-16-26-24)19-13-11-18(12-14-19)28-29-23-20-9-4-5-10-21(20)27-22(23)17-7-2-1-3-8-17/h1-16,27-29H,(H,25,26,30)
InChI Key:
GEYRMRADYOHWLO-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc(cc1)NNc1c([nH]c2c1cccc2)c1ccccc1)Nc1ncccn1
Properties
Complexity:
711
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.137g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
456.524g/mol
Monoisotopic Mass:
456.137g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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