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Home > Indoles and Oxindole > 81215-50-1
81215-50-1 | 1-PYRROLIDIN-1-YLMETHYL-3-(2-NAPHTHYLOXYACETYLHYDRAZONO)INDOLIN-2-ONE
CAS No: 81215-50-1 Catalog No: AG004ZF8 MDL No:
Product Description
Catalog Number:
AG004ZF8
Chemical Name:
1-PYRROLIDIN-1-YLMETHYL-3-(2-NAPHTHYLOXYACETYLHYDRAZONO)INDOLIN-2-ONE
CAS Number:
81215-50-1
Molecular Formula:
C25H24N4O3
Molecular Weight:
428.4831
IUPAC Name:
N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]imino-2-naphthalen-2-yloxyacetamide
InChI:
InChI=1S/C25H24N4O3/c30-23(16-32-20-12-11-18-7-1-2-8-19(18)15-20)26-27-24-21-9-3-4-10-22(21)29(25(24)31)17-28-13-5-6-14-28/h1-4,7-12,15,31H,5-6,13-14,16-17H2
InChI Key:
NYQKBDFMQKLXJI-UHFFFAOYSA-N
SMILES:
O=C(NN=C1C(=O)N(c2c1cccc2)CN1CCCC1)COc1ccc2c(c1)cccc2
Properties
Complexity:
668
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.185g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
428.492g/mol
Monoisotopic Mass:
428.185g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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