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129229-91-0 | Octanoic acid, [1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl]methyl ester
CAS No: 129229-91-0 Catalog No: AG000YZF MDL No:
Product Description
Catalog Number:
AG000YZF
Chemical Name:
Octanoic acid, [1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl]methyl ester
CAS Number:
129229-91-0
Molecular Formula:
C33H46N2O10
Molecular Weight:
630.7257
IUPAC Name:
[1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl octanoate
InChI:
InChI=1S/C33H46N2O10/c1-8-9-10-11-12-13-29(36)45-21-24-20-34(32(37)22-16-25(39-2)30(43-6)26(17-22)40-3)14-15-35(24)33(38)23-18-27(41-4)31(44-7)28(19-23)42-5/h16-19,24H,8-15,20-21H2,1-7H3
InChI Key:
HRAVCYOABUOCGK-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)OCC1CN(CCN1C(=O)c1cc(OC)c(c(c1)OC)OC)C(=O)c1cc(OC)c(c(c1)OC)OC
Properties
Complexity:
894
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
630.315g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
630.735g/mol
Monoisotopic Mass:
630.315g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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