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50458-88-3 | 1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CAS No: 50458-88-3 Catalog No: AG00DJA2 MDL No:MFCD15144270
Product Description
Catalog Number:
AG00DJA2
Chemical Name:
1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CAS Number:
50458-88-3
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD15144270
IUPAC Name:
1,2,3,4-tetrahydroisoquinoline-1-carboxamide
InChI:
InChI=1S/C10H12N2O/c11-10(13)9-8-4-2-1-3-7(8)5-6-12-9/h1-4,9,12H,5-6H2,(H2,11,13)
InChI Key:
SWXSODIZVQALAJ-UHFFFAOYSA-N
SMILES:
NC(=O)C1NCCc2c1cccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Tetrahydroisoquinoline amide substituted phenyl pyrazoles as selective Bcl-2 inhibitors. | Bioorganic & medicinal chemistry letters 20090101 |
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