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1105188-98-4 | 7-Chloro-4-methoxy-N-(3-morpholinopropyl)benzo[d]thiazol-2-amine
CAS No: 1105188-98-4 Catalog No: AG01FMGS MDL No:MFCD11987018
Product Description
Catalog Number:
AG01FMGS
Chemical Name:
7-Chloro-4-methoxy-N-(3-morpholinopropyl)benzo[d]thiazol-2-amine
CAS Number:
1105188-98-4
Molecular Formula:
C15H20ClN3O2S
Molecular Weight:
341.8562
MDL Number:
MFCD11987018
IUPAC Name:
7-chloro-4-methoxy-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C15H20ClN3O2S/c1-20-12-4-3-11(16)14-13(12)18-15(22-14)17-5-2-6-19-7-9-21-10-8-19/h3-4H,2,5-10H2,1H3,(H,17,18)
InChI Key:
UYKUCJJDTMGTPY-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1nc(s2)NCCCN1CCOCC1)Cl
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.854g/mol
Monoisotopic Mass:
341.096g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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