200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1159977-56-6
1159977-56-6 | 1H-Indole-2,3-dione, 5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-
CAS No: 1159977-56-6 Catalog No: AG000HEL MDL No:MFCD18382418
Product Description
Catalog Number:
AG000HEL
Chemical Name:
1H-Indole-2,3-dione, 5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-
CAS Number:
1159977-56-6
Molecular Formula:
C21H19ClN4O2S
Molecular Weight:
426.9192
MDL Number:
MFCD18382418
IUPAC Name:
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1H-indole-2,3-dione
InChI:
InChI=1S/C21H19ClN4O2S/c22-16-12-17-15(19(27)21(28)23-17)11-13(16)5-6-25-7-9-26(10-8-25)20-14-3-1-2-4-18(14)29-24-20/h1-4,11-12H,5-10H2,(H,23,27,28)
InChI Key:
VWHQRPYTDLERQO-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2
UNII:
7C2079297J
Properties
Complexity:
644
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.092g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426.919g/mol
Monoisotopic Mass:
426.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.