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Home > Indoles and Oxindole > 651335-74-9
651335-74-9 | 1H-Indole, 1-(4-piperidinyl)-3-(2-pyridinylsulfonyl)-
CAS No: 651335-74-9 Catalog No: AG006QDO MDL No:
Product Description
Catalog Number:
AG006QDO
Chemical Name:
1H-Indole, 1-(4-piperidinyl)-3-(2-pyridinylsulfonyl)-
CAS Number:
651335-74-9
Molecular Formula:
C18H19N3O2S
Molecular Weight:
341.4274
IUPAC Name:
1-piperidin-4-yl-3-pyridin-2-ylsulfonylindole
InChI:
InChI=1S/C18H19N3O2S/c22-24(23,18-7-3-4-10-20-18)17-13-21(14-8-11-19-12-9-14)16-6-2-1-5-15(16)17/h1-7,10,13-14,19H,8-9,11-12H2
InChI Key:
QYYWSROAEDERRP-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1cn(c2c1cccc2)C1CCNCC1)c1ccccn1
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.12g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.429g/mol
Monoisotopic Mass:
341.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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