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126533-37-7 | 4-Thiazolecarboxylic acid, 2-[(triphenylmethyl)amino]-, ethyl ester
CAS No: 126533-37-7 Catalog No: AG000SW4 MDL No:
Product Description
Catalog Number:
AG000SW4
Chemical Name:
4-Thiazolecarboxylic acid, 2-[(triphenylmethyl)amino]-, ethyl ester
CAS Number:
126533-37-7
Molecular Formula:
C25H22N2O2S
Molecular Weight:
414.5194
IUPAC Name:
ethyl 2-(tritylamino)-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C25H22N2O2S/c1-2-29-23(28)22-18-30-24(26-22)27-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3,(H,26,27)
InChI Key:
ALKSQHJMGOUXRX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)NC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.14g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
414.523g/mol
Monoisotopic Mass:
414.14g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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