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Home > Indoles and Oxindole > 1164540-29-7
1164540-29-7 | (3Z)-1,3-Dihydro-3-[4-oxo-2-(1-piperidinyl)-5(4H)-thiazolylidene]-1-propyl-2H-indol-2-one
CAS No: 1164540-29-7 Catalog No: AG01EQU6 MDL No:
Product Description
Catalog Number:
AG01EQU6
Chemical Name:
(3Z)-1,3-Dihydro-3-[4-oxo-2-(1-piperidinyl)-5(4H)-thiazolylidene]-1-propyl-2H-indol-2-one
CAS Number:
1164540-29-7
Molecular Formula:
C19H21N3O2S
Molecular Weight:
355.4539
IUPAC Name:
(5Z)-5-(2-oxo-1-propylindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one
InChI:
InChI=1S/C19H21N3O2S/c1-2-10-22-14-9-5-4-8-13(14)15(18(22)24)16-17(23)20-19(25-16)21-11-6-3-7-12-21/h4-5,8-9H,2-3,6-7,10-12H2,1H3/b16-15-
InChI Key:
DTDNKSASNDLSDJ-NXVVXOECSA-N
SMILES:
CCCN1C(=O)/C(=C/2\SC(=NC2=O)N2CCCCC2)/c2c1cccc2
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
355.135g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.456g/mol
Monoisotopic Mass:
355.135g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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