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866154-61-2 | N-acetyl-N-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
CAS No: 866154-61-2 Catalog No: AG00IX2O MDL No:MFCD05669648
Product Description
Catalog Number:
AG00IX2O
Chemical Name:
N-acetyl-N-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
CAS Number:
866154-61-2
Molecular Formula:
C15H12N2O5S2
Molecular Weight:
364.3962
MDL Number:
MFCD05669648
IUPAC Name:
N-acetyl-N-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
InChI:
InChI=1S/C15H12N2O5S2/c1-8(18)16(9(2)19)17-14(20)13(24-15(17)23)6-10-3-4-11-12(5-10)22-7-21-11/h3-6H,7H2,1-2H3
InChI Key:
ADGBFIPVJBPVOM-UHFFFAOYSA-N
SMILES:
CC(=O)N(N1C(=S)S/C(=C\c2ccc3c(c2)OCO3)/C1=O)C(=O)C
Properties
Complexity:
621
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.019g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.39g/mol
Monoisotopic Mass:
364.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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