200,000+ products from a single source!
sales@angenechem.com
13129-68-5 | 1H-Indole-2,3-dione, 1-[(diethylamino)methyl]-
CAS No: 13129-68-5 Catalog No: AG000VV4 MDL No:
Product Description
Catalog Number:
AG000VV4
Chemical Name:
1H-Indole-2,3-dione, 1-[(diethylamino)methyl]-
CAS Number:
13129-68-5
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
1-(diethylaminomethyl)indole-2,3-dione
InChI:
InChI=1S/C13H16N2O2/c1-3-14(4-2)9-15-11-8-6-5-7-10(11)12(16)13(15)17/h5-8H,3-4,9H2,1-2H3
InChI Key:
QMQBCPBUOZQQAY-UHFFFAOYSA-N
SMILES:
CCN(CN1c2ccccc2C(=O)C1=O)CC
UNII:
1VFQ7H9LSB
NSC Number:
117885
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Hybrid pharmacophore design and synthesis of isatin-benzothiazole analogs for their anti-breast cancer activity. | Bioorganic & medicinal chemistry 20091101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.