200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 300816-71-1
300816-71-1 | 6-[(5Z)-5-(1-ACETYL-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)-4-OXO-2-THIOXO-+
CAS No: 300816-71-1 Catalog No: AG01C6F7 MDL No:MFCD00703725
Product Description
Catalog Number:
AG01C6F7
Chemical Name:
6-[(5Z)-5-(1-ACETYL-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)-4-OXO-2-THIOXO-+
CAS Number:
300816-71-1
Molecular Formula:
C19H18N2O5S2
Molecular Weight:
418.4866
MDL Number:
MFCD00703725
IUPAC Name:
6-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
InChI:
InChI=1S/C19H18N2O5S2/c1-11(22)21-13-8-5-4-7-12(13)15(17(21)25)16-18(26)20(19(27)28-16)10-6-2-3-9-14(23)24/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,23,24)/b16-15-
InChI Key:
GEJDJQUOSYPYEE-NXVVXOECSA-N
SMILES:
OC(=O)CCCCCN1C(=S)SC(=C2C(=O)N(c3c2cccc3)C(=O)C)C1=O
Properties
Complexity:
763
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
418.066g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
418.482g/mol
Monoisotopic Mass:
418.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.