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140200-98-2 | 1,4-Quinoxalinedicarboxylic acid, 2,3-dihydro-, 1,4-bis(phenylmethyl) ester
CAS No: 140200-98-2 Catalog No: AG001C54 MDL No:
Product Description
Catalog Number:
AG001C54
Chemical Name:
1,4-Quinoxalinedicarboxylic acid, 2,3-dihydro-, 1,4-bis(phenylmethyl) ester
CAS Number:
140200-98-2
Molecular Formula:
C24H22N2O4
Molecular Weight:
402.4425
IUPAC Name:
dibenzyl 2,3-dihydroquinoxaline-1,4-dicarboxylate
InChI:
InChI=1S/C24H22N2O4/c27-23(29-17-19-9-3-1-4-10-19)25-15-16-26(22-14-8-7-13-21(22)25)24(28)30-18-20-11-5-2-6-12-20/h1-14H,15-18H2
InChI Key:
DEGZQNXPTQIGGZ-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(c2c1cccc2)C(=O)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.158g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.45g/mol
Monoisotopic Mass:
402.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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