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Home > Indoles and Oxindole > 306322-03-2
306322-03-2 | 4-[(5Z)-5-(1-METHYL-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)-4-OXO-2-THIOXO-+
CAS No: 306322-03-2 Catalog No: AG01C6F8 MDL No:MFCD00703726
Product Description
Catalog Number:
AG01C6F8
Chemical Name:
4-[(5Z)-5-(1-METHYL-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)-4-OXO-2-THIOXO-+
CAS Number:
306322-03-2
Molecular Formula:
C16H14N2O4S2
Molecular Weight:
362.4234
MDL Number:
MFCD00703726
IUPAC Name:
4-[(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
InChI:
InChI=1S/C16H14N2O4S2/c1-17-10-6-3-2-5-9(10)12(14(17)21)13-15(22)18(16(23)24-13)8-4-7-11(19)20/h2-3,5-6H,4,7-8H2,1H3,(H,19,20)/b13-12-
InChI Key:
JEAVWYPQIONRJP-SEYXRHQNSA-N
SMILES:
OC(=O)CCCN1C(=S)SC(=C2c3ccccc3N(C2=O)C)C1=O
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
362.039g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.418g/mol
Monoisotopic Mass:
362.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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