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Home > Other Heterocycles > 88543-44-6
88543-44-6 | 2,3,4-Trithia-6-azabicyclo[3.2.0]heptan-7-one, 1-acetyl-5,6-diphenyl-
CAS No: 88543-44-6 Catalog No: AG004CQT MDL No:
Product Description
Catalog Number:
AG004CQT
Chemical Name:
2,3,4-Trithia-6-azabicyclo[3.2.0]heptan-7-one, 1-acetyl-5,6-diphenyl-
CAS Number:
88543-44-6
Molecular Formula:
C17H13NO2S3
Molecular Weight:
359.4856
IUPAC Name:
1-acetyl-5,6-diphenyl-2,3,4-trithia-6-azabicyclo[3.2.0]heptan-7-one
InChI:
InChI=1S/C17H13NO2S3/c1-12(19)16-15(20)18(14-10-6-3-7-11-14)17(16,22-23-21-16)13-8-4-2-5-9-13/h2-11H,1H3
InChI Key:
OCMWEVNFLOHEOY-UHFFFAOYSA-N
SMILES:
CC(=O)C12SSSC2(N(C1=O)c1ccccc1)c1ccccc1
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.011g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.476g/mol
Monoisotopic Mass:
359.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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