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27441-26-5 | Benzothiazole, 6-methoxy-2-[[4-(4-morpholinyl)phenyl]azo]-
CAS No: 27441-26-5 Catalog No: AG007KVA MDL No:
Product Description
Catalog Number:
AG007KVA
Chemical Name:
Benzothiazole, 6-methoxy-2-[[4-(4-morpholinyl)phenyl]azo]-
CAS Number:
27441-26-5
Molecular Formula:
C18H18N4O2S
Molecular Weight:
354.4261
IUPAC Name:
(6-methoxy-1,3-benzothiazol-2-yl)-(4-morpholin-4-ylphenyl)diazene
InChI:
InChI=1S/C18H18N4O2S/c1-23-15-6-7-16-17(12-15)25-18(19-16)21-20-13-2-4-14(5-3-13)22-8-10-24-11-9-22/h2-7,12H,8-11H2,1H3
InChI Key:
HMDQASLAUWALQA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(n2)N=Nc1ccc(cc1)N1CCOCC1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.115g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.428g/mol
Monoisotopic Mass:
354.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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