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Home > Indoles and Oxindole > 331003-70-4
331003-70-4 | 3-Methyl-benzoic acid (1-morpholin-4-ylmethyl-2-oxo-1,2-dihydro-indol-3-ylidene)-hydrazide
CAS No: 331003-70-4 Catalog No: AG01EUZ0 MDL No:
Product Description
Catalog Number:
AG01EUZ0
Chemical Name:
3-Methyl-benzoic acid (1-morpholin-4-ylmethyl-2-oxo-1,2-dihydro-indol-3-ylidene)-hydrazide
CAS Number:
331003-70-4
Molecular Formula:
C21H22N4O3
Molecular Weight:
378.4244
IUPAC Name:
N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-3-methylbenzamide
InChI:
InChI=1S/C21H22N4O3/c1-15-5-4-6-16(13-15)20(26)23-22-19-17-7-2-3-8-18(17)25(21(19)27)14-24-9-11-28-12-10-24/h2-8,13,27H,9-12,14H2,1H3
InChI Key:
ASUKKQLEXUZPOZ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(=O)N/N=C\1/c2ccccc2N(C1=O)CN1CCOCC1
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.169g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
378.432g/mol
Monoisotopic Mass:
378.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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