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69415-28-7 | Propanedinitrile,2-[2,6-bis[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]cyclohexylidene]-
CAS No: 69415-28-7 Catalog No: AG005ZR1 MDL No:
Product Description
Catalog Number:
AG005ZR1
Chemical Name:
Propanedinitrile,2-[2,6-bis[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]cyclohexylidene]-
CAS Number:
69415-28-7
Molecular Formula:
C31H28N4S2
Molecular Weight:
520.7108
IUPAC Name:
2-[2,6-bis[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclohexylidene]propanedinitrile
InChI:
InChI=1S/C31H28N4S2/c1-3-34-25-12-5-7-14-27(25)36-29(34)18-16-22-10-9-11-23(31(22)24(20-32)21-33)17-19-30-35(4-2)26-13-6-8-15-28(26)37-30/h5-8,12-19H,3-4,9-11H2,1-2H3
InChI Key:
AUNNOOXNARRSIW-UHFFFAOYSA-N
SMILES:
N#CC(=C1C(=C/C=c\2/sc3c(n2CC)cccc3)CCCC1=C/C=c\1/sc2c(n1CC)cccc2)C#N
Properties
Complexity:
1050
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
520.176g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
520.713g/mol
Monoisotopic Mass:
520.176g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
7
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