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918538-41-7 | Benzonitrile, 4-[3-[(4-cyanophenyl)methyl]-4-oxo-2-thiazolidinyl]-
CAS No: 918538-41-7 Catalog No: AG006POG MDL No:
Product Description
Catalog Number:
AG006POG
Chemical Name:
Benzonitrile, 4-[3-[(4-cyanophenyl)methyl]-4-oxo-2-thiazolidinyl]-
CAS Number:
918538-41-7
Molecular Formula:
C18H13N3OS
Molecular Weight:
319.3803
IUPAC Name:
4-[[2-(4-cyanophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]benzonitrile
InChI:
InChI=1S/C18H13N3OS/c19-9-13-1-3-15(4-2-13)11-21-17(22)12-23-18(21)16-7-5-14(10-20)6-8-16/h1-8,18H,11-12H2
InChI Key:
GRFSAVQBRWJQOM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CN1C(=O)CSC1c1ccc(cc1)C#N
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.078g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.382g/mol
Monoisotopic Mass:
319.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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