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256458-66-9 | 4-{[4-(1H-indol-4-yl)piperazino]sulfonyl}benzonitrile
CAS No: 256458-66-9 Catalog No: AG01CALN MDL No:MFCD00829528
Product Description
Catalog Number:
AG01CALN
Chemical Name:
4-{[4-(1H-indol-4-yl)piperazino]sulfonyl}benzonitrile
CAS Number:
256458-66-9
Molecular Formula:
C19H18N4O2S
Molecular Weight:
366.4368
MDL Number:
MFCD00829528
IUPAC Name:
4-[4-(1H-indol-4-yl)piperazin-1-yl]sulfonylbenzonitrile
InChI:
InChI=1S/C19H18N4O2S/c20-14-15-4-6-16(7-5-15)26(24,25)23-12-10-22(11-13-23)19-3-1-2-18-17(19)8-9-21-18/h1-9,21H,10-13H2
InChI Key:
HGDORJWQJKIXPO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cccc2c1cc[nH]2
Properties
Complexity:
636
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.115g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.439g/mol
Monoisotopic Mass:
366.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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