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83491-16-1 | 2(1H)-Isoquinolinecarboxamide, 3,4-dihydro-N-phenyl-
CAS No: 83491-16-1 Catalog No: AG00507L MDL No:
Product Description
Catalog Number:
AG00507L
Chemical Name:
2(1H)-Isoquinolinecarboxamide, 3,4-dihydro-N-phenyl-
CAS Number:
83491-16-1
Molecular Formula:
C16H16N2O
Molecular Weight:
252.3110
IUPAC Name:
N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
InChI:
InChI=1S/C16H16N2O/c19-16(17-15-8-2-1-3-9-15)18-11-10-13-6-4-5-7-14(13)12-18/h1-9H,10-12H2,(H,17,19)
InChI Key:
RMZWDJQFNRZMOQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)cccc2)Nc1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.317g/mol
Monoisotopic Mass:
252.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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