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1105188-79-1 | 4,7-Dimethoxy-N-(3-morpholinopropyl)benzo[d]thiazol-2-amine
CAS No: 1105188-79-1 Catalog No: AG01FMGT MDL No:MFCD11987013
Product Description
Catalog Number:
AG01FMGT
Chemical Name:
4,7-Dimethoxy-N-(3-morpholinopropyl)benzo[d]thiazol-2-amine
CAS Number:
1105188-79-1
Molecular Formula:
C16H23N3O3S
Molecular Weight:
337.4371
MDL Number:
MFCD11987013
IUPAC Name:
4,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C16H23N3O3S/c1-20-12-4-5-13(21-2)15-14(12)18-16(23-15)17-6-3-7-19-8-10-22-11-9-19/h4-5H,3,6-11H2,1-2H3,(H,17,18)
InChI Key:
XXFQRDWIUZFFQR-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1sc(n2)NCCCN1CCOCC1)OC
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.146g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.438g/mol
Monoisotopic Mass:
337.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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