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88321-28-2 | Propanediamide, 2,2-bis(2-cyanoethyl)-N,N'-bis(2-thiazolyl)-
CAS No: 88321-28-2 Catalog No: AG0089X5 MDL No:
Product Description
Catalog Number:
AG0089X5
Chemical Name:
Propanediamide, 2,2-bis(2-cyanoethyl)-N,N'-bis(2-thiazolyl)-
CAS Number:
88321-28-2
Molecular Formula:
C15H14N6O2S2
Molecular Weight:
374.4407
IUPAC Name:
2,2-bis(2-cyanoethyl)-N,N'-bis(1,3-thiazol-2-yl)propanediamide
InChI:
InChI=1S/C15H14N6O2S2/c16-5-1-3-15(4-2-6-17,11(22)20-13-18-7-9-24-13)12(23)21-14-19-8-10-25-14/h7-10H,1-4H2,(H,18,20,22)(H,19,21,23)
InChI Key:
IZBOXCVOUPUSMX-UHFFFAOYSA-N
SMILES:
N#CCCC(C(=O)Nc1nccs1)(C(=O)Nc1nccs1)CCC#N
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.062g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.437g/mol
Monoisotopic Mass:
374.062g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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