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828914-29-0 | Ethanone, 2-[2-[(4-chlorophenyl)imino]-3-thiazolidinyl]-1-phenyl-
CAS No: 828914-29-0 Catalog No: AG004S8W MDL No:
Product Description
Catalog Number:
AG004S8W
Chemical Name:
Ethanone, 2-[2-[(4-chlorophenyl)imino]-3-thiazolidinyl]-1-phenyl-
CAS Number:
828914-29-0
Molecular Formula:
C17H15ClN2OS
Molecular Weight:
330.8318
IUPAC Name:
2-[2-(4-chlorophenyl)imino-1,3-thiazolidin-3-yl]-1-phenylethanone
InChI:
InChI=1S/C17H15ClN2OS/c18-14-6-8-15(9-7-14)19-17-20(10-11-22-17)12-16(21)13-4-2-1-3-5-13/h1-9H,10-12H2
InChI Key:
ADDDEDHGKVXDDP-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)N=C1SCCN1CC(=O)c1ccccc1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.059g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.83g/mol
Monoisotopic Mass:
330.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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