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137643-31-3

137643-31-3 | Methanone, 1H-indol-3-yl[4-(phenylmethyl)-1-piperazinyl]-

CAS No: 137643-31-3 Catalog No: AG0013NM MDL No:

Product Description

Catalog Number:
AG0013NM
Chemical Name:
Methanone, 1H-indol-3-yl[4-(phenylmethyl)-1-piperazinyl]-
CAS Number:
137643-31-3
Molecular Formula:
C20H21N3O
Molecular Weight:
319.4002
IUPAC Name:
(4-benzylpiperazin-1-yl)-(1H-indol-3-yl)methanone
InChI:
InChI=1S/C20H21N3O/c24-20(18-14-21-19-9-5-4-8-17(18)19)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16/h1-9,14,21H,10-13,15H2
InChI Key:
KGJKHWBESJPEQO-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c2c1cccc2)N1CCN(CC1)Cc1ccccc1

Properties

Complexity:
427  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.168g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
319.408g/mol
Monoisotopic Mass:
319.168g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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
Indole-based heterocyclic inhibitors of p38alpha MAP kinase: designing a conformationally restricted analogue. Bioorganic & medicinal chemistry letters 20030915

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