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1228168-13-5 | Methanone, (4-methyl-1-piperazinyl)[1,2,3,4-tetrahydro-2-(phenylmethyl)benzo[b][1,6]naphthyridin-10-yl]-
CAS No: 1228168-13-5 Catalog No: AG000JJQ MDL No:MFCD22419402
Product Description
Catalog Number:
AG000JJQ
Chemical Name:
Methanone, (4-methyl-1-piperazinyl)[1,2,3,4-tetrahydro-2-(phenylmethyl)benzo[b][1,6]naphthyridin-10-yl]-
CAS Number:
1228168-13-5
Molecular Formula:
C25H28N4O
Molecular Weight:
400.5160
MDL Number:
MFCD22419402
IUPAC Name:
(2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-(4-methylpiperazin-1-yl)methanone
InChI:
InChI=1S/C25H28N4O/c1-27-13-15-29(16-14-27)25(30)24-20-9-5-6-10-22(20)26-23-11-12-28(18-21(23)24)17-19-7-3-2-4-8-19/h2-10H,11-18H2,1H3
InChI Key:
YUBUBFDDDIAKEB-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)c1c2CN(CCc2nc2c1cccc2)Cc1ccccc1
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.226g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.526g/mol
Monoisotopic Mass:
400.226g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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