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13741-96-3 | Glycine, N-[[4-(1-oxo-3-phenyl-1H-inden-2-yl)phenyl]sulfonyl]-
CAS No: 13741-96-3 Catalog No: AG00139P MDL No:
Product Description
Catalog Number:
AG00139P
Chemical Name:
Glycine, N-[[4-(1-oxo-3-phenyl-1H-inden-2-yl)phenyl]sulfonyl]-
CAS Number:
13741-96-3
Molecular Formula:
C23H17NO5S
Molecular Weight:
419.4498
IUPAC Name:
2-[[4-(1-oxo-3-phenylinden-2-yl)phenyl]sulfonylamino]acetic acid
InChI:
InChI=1S/C23H17NO5S/c25-20(26)14-24-30(28,29)17-12-10-16(11-13-17)22-21(15-6-2-1-3-7-15)18-8-4-5-9-19(18)23(22)27/h1-13,24H,14H2,(H,25,26)
InChI Key:
VFXOPKXMHQKAAN-UHFFFAOYSA-N
SMILES:
OC(=O)CNS(=O)(=O)c1ccc(cc1)C1=C(c2ccccc2)c2c(C1=O)cccc2
Properties
Complexity:
798
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.083g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
419.451g/mol
Monoisotopic Mass:
419.083g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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