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84707-85-7 | 1-Piperazinepropanamide, N-1,3-benzodioxol-5-yl-4-phenyl-
CAS No: 84707-85-7 Catalog No: AG004SN7 MDL No:
Product Description
Catalog Number:
AG004SN7
Chemical Name:
1-Piperazinepropanamide, N-1,3-benzodioxol-5-yl-4-phenyl-
CAS Number:
84707-85-7
Molecular Formula:
C20H23N3O3
Molecular Weight:
353.4149
IUPAC Name:
N-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propanamide
InChI:
InChI=1S/C20H23N3O3/c24-20(21-16-6-7-18-19(14-16)26-15-25-18)8-9-22-10-12-23(13-11-22)17-4-2-1-3-5-17/h1-7,14H,8-13,15H2,(H,21,24)
InChI Key:
IGXPMZOLMUTNGH-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2c(c1)OCO2)CCN1CCN(CC1)c1ccccc1
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.174g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.422g/mol
Monoisotopic Mass:
353.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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