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1016875-80-1 | 3-(6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)PROPANETHIOAMIDE
CAS No: 1016875-80-1 Catalog No: AG01ARF1 MDL No:MFCD09936480
Product Description
Catalog Number:
AG01ARF1
Chemical Name:
3-(6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)PROPANETHIOAMIDE
CAS Number:
1016875-80-1
Molecular Formula:
C14H20N2O2S
Molecular Weight:
280.3858
MDL Number:
MFCD09936480
IUPAC Name:
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanethioamide
InChI:
InChI=1S/C14H20N2O2S/c1-17-12-7-10-3-5-16(6-4-14(15)19)9-11(10)8-13(12)18-2/h7-8H,3-6,9H2,1-2H3,(H2,15,19)
InChI Key:
BTRHFDSXGUSFHJ-UHFFFAOYSA-N
SMILES:
COc1cc2CN(CCC(=S)N)CCc2cc1OC
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.125g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.386g/mol
Monoisotopic Mass:
280.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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