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1422285-60-6 | Racemic-(3aR,8aS,8bS)-7-tosyldecahydropyrrolo[3,4-e]isoindol-3(2H)-one
CAS No: 1422285-60-6 Catalog No: AG00HWE7 MDL No:MFCD23378550
Product Description
Catalog Number:
AG00HWE7
Chemical Name:
Racemic-(3aR,8aS,8bS)-7-tosyldecahydropyrrolo[3,4-e]isoindol-3(2H)-one
CAS Number:
1422285-60-6
Molecular Formula:
C17H22N2O3S
Molecular Weight:
334.4332
MDL Number:
MFCD23378550
IUPAC Name:
(5aR,8aS,8bS)-2-(4-methylphenyl)sulfonyl-1,3,3a,4,5,5a,7,8,8a,8b-decahydropyrrolo[3,4-e]isoindol-6-one
InChI:
InChI=1S/C17H22N2O3S/c1-11-2-5-13(6-3-11)23(21,22)19-9-12-4-7-14-15(16(12)10-19)8-18-17(14)20/h2-3,5-6,12,14-16H,4,7-10H2,1H3,(H,18,20)/t12?,14-,15-,16+/m1/s1
InChI Key:
SXELEJLCKASJBN-SJFVDLKVSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CC2[C@H](C1)[C@@H]1CNC(=O)[C@@H]1CC2
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
334.135g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.434g/mol
Monoisotopic Mass:
334.135g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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