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315246-76-5 | 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
CAS No: 315246-76-5 Catalog No: AG00ISQN MDL No:MFCD01930479
Product Description
Catalog Number:
AG00ISQN
Chemical Name:
2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
CAS Number:
315246-76-5
Molecular Formula:
C18H17N3OS
Molecular Weight:
323.4121
MDL Number:
MFCD01930479
IUPAC Name:
2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
InChI:
InChI=1S/C18H17N3OS/c19-10-15-13-8-4-5-9-14(13)17(12-6-2-1-3-7-12)21-18(15)23-11-16(20)22/h1-3,6-7H,4-5,8-9,11H2,(H2,20,22)
InChI Key:
LGVQWXYAWULHME-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)N)nc(c2c1CCCC2)c1ccccc1
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.109g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.414g/mol
Monoisotopic Mass:
323.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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