200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 91026-01-6
91026-01-6 | 1H-Pyrrole-2,5-dione, 3,4-di-1H-indol-3-yl-1-(phenylmethyl)-
CAS No: 91026-01-6 Catalog No: AG006RIY MDL No:
Product Description
Catalog Number:
AG006RIY
Chemical Name:
1H-Pyrrole-2,5-dione, 3,4-di-1H-indol-3-yl-1-(phenylmethyl)-
CAS Number:
91026-01-6
Molecular Formula:
C27H19N3O2
Molecular Weight:
417.4587
IUPAC Name:
1-benzyl-3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione
InChI:
InChI=1S/C27H19N3O2/c31-26-24(20-14-28-22-12-6-4-10-18(20)22)25(21-15-29-23-13-7-5-11-19(21)23)27(32)30(26)16-17-8-2-1-3-9-17/h1-15,28-29H,16H2
InChI Key:
KCTMKNTUYXUDDV-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccccc2)C(=O)C(=C1c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
Properties
Complexity:
732
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.148g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
417.468g/mol
Monoisotopic Mass:
417.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Adenosine mimetics as inhibitors of NAD+-dependent histone deacetylases, from kinase to sirtuin inhibition. | Journal of medicinal chemistry 20061214 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.