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1286728-44-6 | N-(3-(1H-Imidazol-1-yl)propyl)-7-chloro-4-methoxybenzo[d]thiazol-2-amine
CAS No: 1286728-44-6 Catalog No: AG01FMZX MDL No:MFCD22587635
Product Description
Catalog Number:
AG01FMZX
Chemical Name:
N-(3-(1H-Imidazol-1-yl)propyl)-7-chloro-4-methoxybenzo[d]thiazol-2-amine
CAS Number:
1286728-44-6
Molecular Formula:
C14H15ClN4OS
Molecular Weight:
322.8131
MDL Number:
MFCD22587635
IUPAC Name:
7-chloro-N-(3-imidazol-1-ylpropyl)-4-methoxy-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C14H15ClN4OS/c1-20-11-4-3-10(15)13-12(11)18-14(21-13)17-5-2-7-19-8-6-16-9-19/h3-4,6,8-9H,2,5,7H2,1H3,(H,17,18)
InChI Key:
ORKSPYOCMRAQAV-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1nc(s2)NCCCn1ccnc1)Cl
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.066g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.811g/mol
Monoisotopic Mass:
322.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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