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924869-79-4 | 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-N-[4-(propan-2-yl)phenyl]acetamide
CAS No: 924869-79-4 Catalog No: AG019PN9 MDL No:MFCD08444262
Product Description
Catalog Number:
AG019PN9
Chemical Name:
2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-N-[4-(propan-2-yl)phenyl]acetamide
CAS Number:
924869-79-4
Molecular Formula:
C21H19N3O2S
Molecular Weight:
377.4595
MDL Number:
MFCD08444262
IUPAC Name:
2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-N-(4-propan-2-ylphenyl)acetamide
InChI:
InChI=1S/C21H19N3O2S/c1-14(2)15-8-10-16(11-9-15)23-20(26)18(12-22)21-24(19(25)13-27-21)17-6-4-3-5-7-17/h3-11,14H,13H2,1-2H3,(H,23,26)
InChI Key:
KMEUNTKKSXKILK-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)NC(=O)C(=C1SCC(=O)N1c1ccccc1)C#N)C
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.12g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.462g/mol
Monoisotopic Mass:
377.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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