200,000+ products from a single source!
sales@angenechem.com
129477-57-2 | 2-Piperazinecarboxylic acid, 1,4-bis(3,4,5-trimethoxybenzoyl)-, hexyl ester
CAS No: 129477-57-2 Catalog No: AG000Z5H MDL No:
Product Description
Catalog Number:
AG000Z5H
Chemical Name:
2-Piperazinecarboxylic acid, 1,4-bis(3,4,5-trimethoxybenzoyl)-, hexyl ester
CAS Number:
129477-57-2
Molecular Formula:
C31H42N2O10
Molecular Weight:
602.6726
IUPAC Name:
hexyl 1,4-bis(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate
InChI:
InChI=1S/C31H42N2O10/c1-8-9-10-11-14-43-31(36)22-19-32(29(34)20-15-23(37-2)27(41-6)24(16-20)38-3)12-13-33(22)30(35)21-17-25(39-4)28(42-7)26(18-21)40-5/h15-18,22H,8-14,19H2,1-7H3
InChI Key:
XBEQXYIHPVWOBO-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)C1CN(CCN1C(=O)c1cc(OC)c(c(c1)OC)OC)C(=O)c1cc(OC)c(c(c1)OC)OC
Properties
Complexity:
863
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
602.284g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
602.681g/mol
Monoisotopic Mass:
602.284g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.