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71765-56-5 | 1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CAS No: 71765-56-5 Catalog No: AG00J05L MDL No:MFCD01702554
Product Description
Catalog Number:
AG00J05L
Chemical Name:
1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CAS Number:
71765-56-5
Molecular Formula:
C20H19N3O2
Molecular Weight:
333.3838
MDL Number:
MFCD01702554
IUPAC Name:
1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
InChI:
InChI=1S/C20H19N3O2/c24-19(17-14-21-18-9-5-4-8-16(17)18)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14,21H,10-13H2
InChI Key:
DHSZCAQWNANREP-UHFFFAOYSA-N
SMILES:
O=C(C(=O)c1c[nH]c2c1cccc2)N1CCN(CC1)c1ccccc1
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.148g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.391g/mol
Monoisotopic Mass:
333.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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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