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65177-32-4 | Benzothiazole, 2,2'-[2,6-pyridinediylbis(methylene)]bis-
CAS No: 65177-32-4 Catalog No: AG00H7AK MDL No:
Product Description
Catalog Number:
AG00H7AK
Chemical Name:
Benzothiazole, 2,2'-[2,6-pyridinediylbis(methylene)]bis-
CAS Number:
65177-32-4
Molecular Formula:
C21H15N3S2
Molecular Weight:
373.4939
IUPAC Name:
2-[[6-(1,3-benzothiazol-2-ylmethyl)pyridin-2-yl]methyl]-1,3-benzothiazole
InChI:
InChI=1S/C21H15N3S2/c1-3-10-18-16(8-1)23-20(25-18)12-14-6-5-7-15(22-14)13-21-24-17-9-2-4-11-19(17)26-21/h1-11H,12-13H2
InChI Key:
GZRUYVFZUCSGDB-UHFFFAOYSA-N
SMILES:
c1cc(nc(c1)Cc1nc2c(s1)cccc2)Cc1nc2c(s1)cccc2
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.071g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.492g/mol
Monoisotopic Mass:
373.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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