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1422068-56-1 | 2-(4-methoxybenzyl)-2H-spiro[benzo[d]isothiazole-3,3'-pyrrolidine] 1,1-dioxide
CAS No: 1422068-56-1 Catalog No: AG01DFL7 MDL No:
Product Description
Catalog Number:
AG01DFL7
Chemical Name:
2-(4-methoxybenzyl)-2H-spiro[benzo[d]isothiazole-3,3'-pyrrolidine] 1,1-dioxide
CAS Number:
1422068-56-1
Molecular Formula:
C18H20N2O3S
Molecular Weight:
344.4280
IUPAC Name:
2-[(4-methoxyphenyl)methyl]spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide
InChI:
InChI=1S/C18H20N2O3S/c1-23-15-8-6-14(7-9-15)12-20-18(10-11-19-13-18)16-4-2-3-5-17(16)24(20,21)22/h2-9,19H,10-13H2,1H3
InChI Key:
RDJJZANERKEWDR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1C2(CNCC2)c2c(S1(=O)=O)cccc2
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.119g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.429g/mol
Monoisotopic Mass:
344.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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