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7509-50-4 | 2'-(2,3-dimethoxybenzyl)-1'-[(4-methylphenyl)sulfonyl]spiro[indole-3,3'-pyrrolidin]-2(1h)-one
CAS No: 7509-50-4 Catalog No: AG005QZ5 MDL No:
Product Description
Catalog Number:
AG005QZ5
Chemical Name:
2'-(2,3-dimethoxybenzyl)-1'-[(4-methylphenyl)sulfonyl]spiro[indole-3,3'-pyrrolidin]-2(1h)-one
CAS Number:
7509-50-4
Molecular Formula:
C27H28N2O5S
Molecular Weight:
492.5866
IUPAC Name:
2'-[(2,3-dimethoxyphenyl)methyl]-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
InChI:
InChI=1S/C27H28N2O5S/c1-18-11-13-20(14-12-18)35(31,32)29-16-15-27(21-8-4-5-9-22(21)28-26(27)30)24(29)17-19-7-6-10-23(33-2)25(19)34-3/h4-14,24H,15-17H2,1-3H3,(H,28,30)
InChI Key:
AORMSBXAWCMCIZ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1OC)CC1N(CCC21C(=O)Nc1c2cccc1)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
867
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.172g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
492.59g/mol
Monoisotopic Mass:
492.172g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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