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13175-10-5 | 1,2,4-Triazolidine-1,2-dicarboxylic acid, 3,4,5-triphenyl-, 1,2-diethyl ester
CAS No: 13175-10-5 Catalog No: AG000ZP3 MDL No:
Product Description
Catalog Number:
AG000ZP3
Chemical Name:
1,2,4-Triazolidine-1,2-dicarboxylic acid, 3,4,5-triphenyl-, 1,2-diethyl ester
CAS Number:
13175-10-5
Molecular Formula:
C26H27N3O4
Molecular Weight:
445.5103
IUPAC Name:
diethyl 3,4,5-triphenyl-1,2,4-triazolidine-1,2-dicarboxylate
InChI:
InChI=1S/C26H27N3O4/c1-3-32-25(30)28-23(20-14-8-5-9-15-20)27(22-18-12-7-13-19-22)24(21-16-10-6-11-17-21)29(28)26(31)33-4-2/h5-19,23-24H,3-4H2,1-2H3
InChI Key:
DSGORSPFIDYVHA-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1N(C(=O)OCC)C(N(C1c1ccccc1)c1ccccc1)c1ccccc1
NSC Number:
103873
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.2g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
445.519g/mol
Monoisotopic Mass:
445.2g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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