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28837-84-5 | 1H-Indole-3-carboxaldehyde, 5-methoxy-2-[(4-methyl-1-piperazinyl)carbonyl]-
CAS No: 28837-84-5 Catalog No: AG002WQ7 MDL No:
Product Description
Catalog Number:
AG002WQ7
Chemical Name:
1H-Indole-3-carboxaldehyde, 5-methoxy-2-[(4-methyl-1-piperazinyl)carbonyl]-
CAS Number:
28837-84-5
Molecular Formula:
C16H19N3O3
Molecular Weight:
301.3404
IUPAC Name:
5-methoxy-2-(4-methylpiperazine-1-carbonyl)-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C16H19N3O3/c1-18-5-7-19(8-6-18)16(21)15-13(10-20)12-9-11(22-2)3-4-14(12)17-15/h3-4,9-10,17H,5-8H2,1-2H3
InChI Key:
KOLWXIIJKVLBMG-UHFFFAOYSA-N
SMILES:
O=Cc1c([nH]c2c1cc(OC)cc2)C(=O)N1CCN(CC1)C
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.143g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.346g/mol
Monoisotopic Mass:
301.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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