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824409-60-1 | Piperazine, 1-[(1,3-dihydroxy-9-acridinyl)carbonyl]-4-(3-methoxyphenyl)-
CAS No: 824409-60-1 Catalog No: AG0051HD MDL No:
Product Description
Catalog Number:
AG0051HD
Chemical Name:
Piperazine, 1-[(1,3-dihydroxy-9-acridinyl)carbonyl]-4-(3-methoxyphenyl)-
CAS Number:
824409-60-1
Molecular Formula:
C25H23N3O4
Molecular Weight:
429.4678
IUPAC Name:
(1,3-dihydroxyacridin-9-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
InChI:
InChI=1S/C25H23N3O4/c1-32-18-6-4-5-16(13-18)27-9-11-28(12-10-27)25(31)23-19-7-2-3-8-20(19)26-21-14-17(29)15-22(30)24(21)23/h2-8,13-15,29-30H,9-12H2,1H3
InChI Key:
NBWVXTRXYYWHIU-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)N1CCN(CC1)C(=O)c1c2ccccc2nc2c1c(O)cc(c2)O
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.169g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
429.476g/mol
Monoisotopic Mass:
429.169g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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