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117378-55-9 | Pyrrolidine, 1,1'-[2-[(2-aminophenyl)thio]-1,3-dioxo-1,3-propanediyl]bis- (9CI)
CAS No: 117378-55-9 Catalog No: AG000E76 MDL No:
Product Description
Catalog Number:
AG000E76
Chemical Name:
Pyrrolidine, 1,1'-[2-[(2-aminophenyl)thio]-1,3-dioxo-1,3-propanediyl]bis- (9CI)
CAS Number:
117378-55-9
Molecular Formula:
C17H23N3O2S
Molecular Weight:
333.4484
IUPAC Name:
2-(2-aminophenyl)sulfanyl-1,3-dipyrrolidin-1-ylpropane-1,3-dione
InChI:
InChI=1S/C17H23N3O2S/c18-13-7-1-2-8-14(13)23-15(16(21)19-9-3-4-10-19)17(22)20-11-5-6-12-20/h1-2,7-8,15H,3-6,9-12,18H2
InChI Key:
BNPFTHDQNNJVGL-UHFFFAOYSA-N
SMILES:
O=C(C(C(=O)N1CCCC1)Sc1ccccc1N)N1CCCC1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.151g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.45g/mol
Monoisotopic Mass:
333.151g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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