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305376-97-0 | 3-[(5Z)-5-(1-METHYL-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)-4-OXO-2-THIOXO-+
CAS No: 305376-97-0 Catalog No: AG01C6EY MDL No:MFCD00395880
Product Description
Catalog Number:
AG01C6EY
Chemical Name:
3-[(5Z)-5-(1-METHYL-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)-4-OXO-2-THIOXO-+
CAS Number:
305376-97-0
Molecular Formula:
C15H12N2O4S2
Molecular Weight:
348.3968
MDL Number:
MFCD00395880
IUPAC Name:
3-[(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
InChI:
InChI=1S/C15H12N2O4S2/c1-16-9-5-3-2-4-8(9)11(13(16)20)12-14(21)17(15(22)23-12)7-6-10(18)19/h2-5H,6-7H2,1H3,(H,18,19)/b12-11-
InChI Key:
TYQDZFOBJOYSFA-QXMHVHEDSA-N
SMILES:
OC(=O)CCN1C(=S)SC(=C2c3ccccc3N(C2=O)C)C1=O
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
348.024g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.391g/mol
Monoisotopic Mass:
348.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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