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128225-53-6 | 1,2-Pyrazolidinedicarboxylic acid, 4-mercapto-, 1,2-bis(phenylmethyl) ester
CAS No: 128225-53-6 Catalog No: AG000XW1 MDL No:
Product Description
Catalog Number:
AG000XW1
Chemical Name:
1,2-Pyrazolidinedicarboxylic acid, 4-mercapto-, 1,2-bis(phenylmethyl) ester
CAS Number:
128225-53-6
Molecular Formula:
C19H20N2O4S
Molecular Weight:
372.4381
IUPAC Name:
dibenzyl 4-sulfanylpyrazolidine-1,2-dicarboxylate
InChI:
InChI=1S/C19H20N2O4S/c22-18(24-13-15-7-3-1-4-8-15)20-11-17(26)12-21(20)19(23)25-14-16-9-5-2-6-10-16/h1-10,17,26H,11-14H2
InChI Key:
XOVYEDFNLUNMAG-UHFFFAOYSA-N
SMILES:
SC1CN(N(C1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.114g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.439g/mol
Monoisotopic Mass:
372.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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