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Home > Indoles and Oxindole > 852367-25-0
852367-25-0 | 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CAS No: 852367-25-0 Catalog No: AG00ITF6 MDL No:MFCD00245684
Product Description
Catalog Number:
AG00ITF6
Chemical Name:
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CAS Number:
852367-25-0
Molecular Formula:
C19H17N3O4
Molecular Weight:
351.3560
MDL Number:
MFCD00245684
IUPAC Name:
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
InChI:
InChI=1S/C19H17N3O4/c23-17(14-12-20-15-5-2-1-4-13(14)15)19(25)22-9-7-21(8-10-22)18(24)16-6-3-11-26-16/h1-6,11-12,20H,7-10H2
InChI Key:
FTMXGKSXGRZHLT-UHFFFAOYSA-N
SMILES:
O=C(C(=O)c1c[nH]c2c1cccc2)N1CCN(CC1)C(=O)c1ccco1
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.122g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.362g/mol
Monoisotopic Mass:
351.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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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