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Home > Thiazole > 1422137-41-4
1422137-41-4 | 2-benzyl-2H-spiro[benzo[d]isothiazole-3,3'-pyrrolidine] 1,1-dioxide
CAS No: 1422137-41-4 Catalog No: AG01DJRU MDL No:
Product Description
Catalog Number:
AG01DJRU
Chemical Name:
2-benzyl-2H-spiro[benzo[d]isothiazole-3,3'-pyrrolidine] 1,1-dioxide
CAS Number:
1422137-41-4
Molecular Formula:
C17H18N2O2S
Molecular Weight:
314.4020
IUPAC Name:
2-benzylspiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide
InChI:
InChI=1S/C17H18N2O2S/c20-22(21)16-9-5-4-8-15(16)17(10-11-18-13-17)19(22)12-14-6-2-1-3-7-14/h1-9,18H,10-13H2
InChI Key:
OSUUYGWCUYNAIB-UHFFFAOYSA-N
SMILES:
O=S1(=O)c2ccccc2C2(N1Cc1ccccc1)CNCC2
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.109g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.403g/mol
Monoisotopic Mass:
314.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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