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189452-07-1 | Benzamide, 4-methoxy-N-[(4-methyl-1-piperazinyl)thioxomethyl]-
CAS No: 189452-07-1 Catalog No: AG002DOV MDL No:
Product Description
Catalog Number:
AG002DOV
Chemical Name:
Benzamide, 4-methoxy-N-[(4-methyl-1-piperazinyl)thioxomethyl]-
CAS Number:
189452-07-1
Molecular Formula:
C14H19N3O2S
Molecular Weight:
293.3846
IUPAC Name:
4-methoxy-N-(4-methylpiperazine-1-carbothioyl)benzamide
InChI:
InChI=1S/C14H19N3O2S/c1-16-7-9-17(10-8-16)14(20)15-13(18)11-3-5-12(19-2)6-4-11/h3-6H,7-10H2,1-2H3,(H,15,18,20)
InChI Key:
BDZBDADKDGWRAF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)NC(=S)N1CCN(CC1)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.12g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.385g/mol
Monoisotopic Mass:
293.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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