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1064653-73-1 | 8-(piperidin-4-yl)-3-[3-(pyrrolidin-1-yl)benzenesulfonyl]quinoline
CAS No: 1064653-73-1 Catalog No: AG01BVLK MDL No:
Product Description
Catalog Number:
AG01BVLK
Chemical Name:
8-(piperidin-4-yl)-3-[3-(pyrrolidin-1-yl)benzenesulfonyl]quinoline
CAS Number:
1064653-73-1
Molecular Formula:
C24H27N3O2S
Molecular Weight:
421.5551
IUPAC Name:
8-piperidin-4-yl-3-(3-pyrrolidin-1-ylphenyl)sulfonylquinoline
InChI:
InChI=1S/C24H27N3O2S/c28-30(29,21-7-4-6-20(16-21)27-13-1-2-14-27)22-15-19-5-3-8-23(24(19)26-17-22)18-9-11-25-12-10-18/h3-8,15-18,25H,1-2,9-14H2
InChI Key:
TXMXAASHOFGYMC-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1cnc2c(c1)cccc2C1CCNCC1)c1cccc(c1)N1CCCC1
Properties
Complexity:
666
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.182g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
421.559g/mol
Monoisotopic Mass:
421.182g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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