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5147-40-0 | 5-Thiazolidineacetamide,N-(2-methylphenyl)-3-(2-methylpropyl)-4-oxo-2-thioxo-
CAS No: 5147-40-0 Catalog No: AG006VSI MDL No:
Product Description
Catalog Number:
AG006VSI
Chemical Name:
5-Thiazolidineacetamide,N-(2-methylphenyl)-3-(2-methylpropyl)-4-oxo-2-thioxo-
CAS Number:
5147-40-0
Molecular Formula:
C28H21ClN2
Molecular Weight:
420.9327
IUPAC Name:
3-benzyl-5-(4-chlorophenyl)-1,4-diphenylpyrazole
InChI:
InChI=1S/C28H21ClN2/c29-24-18-16-23(17-19-24)28-27(22-12-6-2-7-13-22)26(20-21-10-4-1-5-11-21)30-31(28)25-14-8-3-9-15-25/h1-19H,20H2
InChI Key:
QSPDBEJYYVXLTI-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1c(c2ccccc2)c(nn1c1ccccc1)Cc1ccccc1
NSC Number:
133084
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.139g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.94g/mol
Monoisotopic Mass:
420.139g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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