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122002-78-2 | 3-PYRIDINAMINE, N-ETHYL-2-[4-[3-(4-METHOXY-3,5-DIMETHYLPHENYL)PROPYL]-1-PIPERAZINYL]-
CAS No: 122002-78-2 Catalog No: AG0016KH MDL No:
Product Description
Catalog Number:
AG0016KH
Chemical Name:
3-PYRIDINAMINE, N-ETHYL-2-[4-[3-(4-METHOXY-3,5-DIMETHYLPHENYL)PROPYL]-1-PIPERAZINYL]-
CAS Number:
122002-78-2
Molecular Formula:
C23H34N4O
Molecular Weight:
382.5423
IUPAC Name:
N-ethyl-2-[4-[3-(4-methoxy-3,5-dimethylphenyl)propyl]piperazin-1-yl]pyridin-3-amine
InChI:
InChI=1S/C23H34N4O/c1-5-24-21-9-6-10-25-23(21)27-14-12-26(13-15-27)11-7-8-20-16-18(2)22(28-4)19(3)17-20/h6,9-10,16-17,24H,5,7-8,11-15H2,1-4H3
InChI Key:
JFRHRJPVUXSSAW-UHFFFAOYSA-N
SMILES:
CCNc1cccnc1N1CCN(CC1)CCCc1cc(C)c(c(c1)C)OC
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.273g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.552g/mol
Monoisotopic Mass:
382.273g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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