200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 96265-41-7
96265-41-7 | 1-(4-benzylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
CAS No: 96265-41-7 Catalog No: AG00IXE1 MDL No:MFCD02662151
Product Description
Catalog Number:
AG00IXE1
Chemical Name:
1-(4-benzylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
CAS Number:
96265-41-7
Molecular Formula:
C21H21N3O2
Molecular Weight:
347.4103
MDL Number:
MFCD02662151
IUPAC Name:
1-(4-benzylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
InChI:
InChI=1S/C21H21N3O2/c25-20(18-14-22-19-9-5-4-8-17(18)19)21(26)24-12-10-23(11-13-24)15-16-6-2-1-3-7-16/h1-9,14,22H,10-13,15H2
InChI Key:
TWDRZUNNYNNDNT-UHFFFAOYSA-N
SMILES:
O=C(C(=O)c1c[nH]c2c1cccc2)N1CCN(CC1)Cc1ccccc1
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.163g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.418g/mol
Monoisotopic Mass:
347.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.