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Home > Indoles and Oxindole > 651335-48-7
651335-48-7 | 1H-Indole, 1-(2-pyrrolidinylmethyl)-3-(3-thienylsulfonyl)-
CAS No: 651335-48-7 Catalog No: AG006QDT MDL No:
Product Description
Catalog Number:
AG006QDT
Chemical Name:
1H-Indole, 1-(2-pyrrolidinylmethyl)-3-(3-thienylsulfonyl)-
CAS Number:
651335-48-7
Molecular Formula:
C17H18N2O2S2
Molecular Weight:
346.4670
IUPAC Name:
1-(pyrrolidin-2-ylmethyl)-3-thiophen-3-ylsulfonylindole
InChI:
InChI=1S/C17H18N2O2S2/c20-23(21,14-7-9-22-12-14)17-11-19(10-13-4-3-8-18-13)16-6-2-1-5-15(16)17/h1-2,5-7,9,11-13,18H,3-4,8,10H2
InChI Key:
NEBJDRYUCOBRRQ-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1cn(c2c1cccc2)CC1CCCN1)c1cscc1
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.081g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.463g/mol
Monoisotopic Mass:
346.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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