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1177306-43-2 | N-(3-(1H-Imidazol-1-yl)propyl)-4,7-dimethoxybenzo[d]thiazol-2-amine
CAS No: 1177306-43-2 Catalog No: AG01FM2C MDL No:MFCD16631703
Product Description
Catalog Number:
AG01FM2C
Chemical Name:
N-(3-(1H-Imidazol-1-yl)propyl)-4,7-dimethoxybenzo[d]thiazol-2-amine
CAS Number:
1177306-43-2
Molecular Formula:
C15H18N4O2S
Molecular Weight:
318.3940
MDL Number:
MFCD16631703
IUPAC Name:
N-(3-imidazol-1-ylpropyl)-4,7-dimethoxy-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C15H18N4O2S/c1-20-11-4-5-12(21-2)14-13(11)18-15(22-14)17-6-3-8-19-9-7-16-10-19/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,17,18)
InChI Key:
BRORCRRGXAIODS-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1sc(n2)NCCCn1ccnc1)OC
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.395g/mol
Monoisotopic Mass:
318.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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