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16576-35-5 | 1-Isoquinolinecarbonitrile, 2-benzoyl-1,2-dihydro-1-(phenylmethyl)-
CAS No: 16576-35-5 Catalog No: AG001WCO MDL No:
Product Description
Catalog Number:
AG001WCO
Chemical Name:
1-Isoquinolinecarbonitrile, 2-benzoyl-1,2-dihydro-1-(phenylmethyl)-
CAS Number:
16576-35-5
Molecular Formula:
C24H18N2O
Molecular Weight:
350.4125
IUPAC Name:
2-benzoyl-1-benzylisoquinoline-1-carbonitrile
InChI:
InChI=1S/C24H18N2O/c25-18-24(17-19-9-3-1-4-10-19)22-14-8-7-11-20(22)15-16-26(24)23(27)21-12-5-2-6-13-21/h1-16H,17H2
InChI Key:
VQBSSSAAVXOLLK-UHFFFAOYSA-N
SMILES:
N#CC1(Cc2ccccc2)N(C=Cc2c1cccc2)C(=O)c1ccccc1
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.142g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.421g/mol
Monoisotopic Mass:
350.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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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