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1204298-45-2 | 3-(6-METHOXY-3,4-DIHYDROISOQUINOLIN-2(1H)-YL)PROPANETHIOAMIDE
CAS No: 1204298-45-2 Catalog No: AG01AQK2 MDL No:MFCD16653288
Product Description
Catalog Number:
AG01AQK2
Chemical Name:
3-(6-METHOXY-3,4-DIHYDROISOQUINOLIN-2(1H)-YL)PROPANETHIOAMIDE
CAS Number:
1204298-45-2
Molecular Formula:
C13H18N2OS
Molecular Weight:
250.3598
MDL Number:
MFCD16653288
IUPAC Name:
3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanethioamide
InChI:
InChI=1S/C13H18N2OS/c1-16-12-3-2-11-9-15(7-5-13(14)17)6-4-10(11)8-12/h2-3,8H,4-7,9H2,1H3,(H2,14,17)
InChI Key:
MZKJRZDPRVAJSJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCN(C2)CCC(=S)N
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.114g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.36g/mol
Monoisotopic Mass:
250.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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