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1218403-48-5 | N-[1-(thiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CAS No: 1218403-48-5 Catalog No: AG01A1XQ MDL No:MFCD12680305
Product Description
Catalog Number:
AG01A1XQ
Chemical Name:
N-[1-(thiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CAS Number:
1218403-48-5
Molecular Formula:
C16H18N2OS
Molecular Weight:
286.3919
MDL Number:
MFCD12680305
IUPAC Name:
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
InChI:
InChI=1S/C16H18N2OS/c1-11(15-7-4-8-20-15)18-16(19)14-9-12-5-2-3-6-13(12)10-17-14/h2-8,11,14,17H,9-10H2,1H3,(H,18,19)
InChI Key:
SFEHPRJRTRTMBM-UHFFFAOYSA-N
SMILES:
CC(c1cccs1)NC(=O)C1NCc2c(C1)cccc2
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.114g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.393g/mol
Monoisotopic Mass:
286.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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