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1270138-40-3 | Methanone, [2-[(3-methylbutyl)amino]-3-pyridinyl][4-(phenylmethyl)-1-piperazinyl]-
CAS No: 1270138-40-3 Catalog No: AG000WJV MDL No:MFCD26959792
Product Description
Catalog Number:
AG000WJV
Chemical Name:
Methanone, [2-[(3-methylbutyl)amino]-3-pyridinyl][4-(phenylmethyl)-1-piperazinyl]-
CAS Number:
1270138-40-3
Molecular Formula:
C22H30N4O
Molecular Weight:
366.4998
MDL Number:
MFCD26959792
IUPAC Name:
(4-benzylpiperazin-1-yl)-[2-(3-methylbutylamino)pyridin-3-yl]methanone
InChI:
InChI=1S/C22H30N4O/c1-18(2)10-12-24-21-20(9-6-11-23-21)22(27)26-15-13-25(14-16-26)17-19-7-4-3-5-8-19/h3-9,11,18H,10,12-17H2,1-2H3,(H,23,24)
InChI Key:
DYTOQURYRYYNOR-UHFFFAOYSA-N
SMILES:
CC(CCNc1ncccc1C(=O)N1CCN(CC1)Cc1ccccc1)C
UNII:
YVE9U408ZL
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.242g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.509g/mol
Monoisotopic Mass:
366.242g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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