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129477-62-9 | 2-Piperazinecarboxamide, N-(phenylmethyl)-1,4-bis(3,4,5-trimethoxybenzoyl)-
CAS No: 129477-62-9 Catalog No: AG000Z5E MDL No:
Product Description
Catalog Number:
AG000Z5E
Chemical Name:
2-Piperazinecarboxamide, N-(phenylmethyl)-1,4-bis(3,4,5-trimethoxybenzoyl)-
CAS Number:
129477-62-9
Molecular Formula:
C32H37N3O9
Molecular Weight:
607.6509
IUPAC Name:
N-benzyl-1,4-bis(3,4,5-trimethoxybenzoyl)piperazine-2-carboxamide
InChI:
InChI=1S/C32H37N3O9/c1-39-24-14-21(15-25(40-2)28(24)43-5)31(37)34-12-13-35(23(19-34)30(36)33-18-20-10-8-7-9-11-20)32(38)22-16-26(41-3)29(44-6)27(17-22)42-4/h7-11,14-17,23H,12-13,18-19H2,1-6H3,(H,33,36)
InChI Key:
HRVNKVXEICFVIB-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(cc1OC)C(=O)N1CCN(C(C1)C(=O)NCc1ccccc1)C(=O)c1cc(OC)c(c(c1)OC)OC
Properties
Complexity:
920
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
607.253g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
607.66g/mol
Monoisotopic Mass:
607.253g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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