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338761-88-9 | N-(3-chlorophenyl)-1-(cyanomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide
CAS No: 338761-88-9 Catalog No: AG00IUBZ MDL No:MFCD00244253
Product Description
Catalog Number:
AG00IUBZ
Chemical Name:
N-(3-chlorophenyl)-1-(cyanomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide
CAS Number:
338761-88-9
Molecular Formula:
C18H16ClN3O
Molecular Weight:
325.7921
MDL Number:
MFCD00244253
IUPAC Name:
N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
InChI:
InChI=1S/C18H16ClN3O/c19-14-5-3-6-15(12-14)21-18(23)22-11-9-13-4-1-2-7-16(13)17(22)8-10-20/h1-7,12,17H,8-9,11H2,(H,21,23)
InChI Key:
HKTNJZADJOHHLM-UHFFFAOYSA-N
SMILES:
N#CCC1N(CCc2c1cccc2)C(=O)Nc1cccc(c1)Cl
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.098g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.796g/mol
Monoisotopic Mass:
325.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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