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478256-95-0

478256-95-0 | 4-(1,3-benzothiazol-2-yl)-N-(prop-2-en-1-yl)piperidine-1-carboxamide

CAS No: 478256-95-0 Catalog No: AG00ISEP MDL No:MFCD02102797

Product Description

Catalog Number:
AG00ISEP
Chemical Name:
4-(1,3-benzothiazol-2-yl)-N-(prop-2-en-1-yl)piperidine-1-carboxamide
CAS Number:
478256-95-0
Molecular Formula:
C16H19N3OS
Molecular Weight:
301.4066
MDL Number:
MFCD02102797
IUPAC Name:
4-(1,3-benzothiazol-2-yl)-N-prop-2-enylpiperidine-1-carboxamide
InChI:
InChI=1S/C16H19N3OS/c1-2-9-17-16(20)19-10-7-12(8-11-19)15-18-13-5-3-4-6-14(13)21-15/h2-6,12H,1,7-11H2,(H,17,20)
InChI Key:
BFQCSMZNMWCUFX-UHFFFAOYSA-N
SMILES:
C=CCNC(=O)N1CCC(CC1)c1nc2c(s1)cccc2

Properties

Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.125g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
301.408g/mol
Monoisotopic Mass:
301.125g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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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