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882562-40-5 | 3-(2,5-Dichloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole
CAS No: 882562-40-5 Catalog No: AG004CGG MDL No:MFCD17392847
Product Description
Catalog Number:
AG004CGG
Chemical Name:
3-(2,5-Dichloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole
CAS Number:
882562-40-5
Molecular Formula:
C18H11Cl2N3O2S
Molecular Weight:
404.2698
MDL Number:
MFCD17392847
IUPAC Name:
1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole
InChI:
InChI=1S/C18H11Cl2N3O2S/c19-15-10-21-18(20)22-17(15)14-11-23(16-9-5-4-8-13(14)16)26(24,25)12-6-2-1-3-7-12/h1-11H
InChI Key:
ZSDGZYGEBQECGY-UHFFFAOYSA-N
SMILES:
Clc1ncc(c(n1)c1cn(c2c1cccc2)S(=O)(=O)c1ccccc1)Cl
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.995g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.265g/mol
Monoisotopic Mass:
402.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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