539812-69-6
2-[[4-ALLYL-5-(4-TERT-BUTYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2,5-DIMETHYLPHENYL)ACETAMIDE
Name
2-[[4-ALLYL-5-(4-TERT-BUTYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2,5-DIMETHYLPHENYL)ACETAMIDE
Formula
C25 H30 N4 O S
MolWeight
434.605
1Identification
【Name】
2-[[4-ALLYL-5-(4-TERT-BUTYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2,5-DIMETHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD05154920
【English Synonyms】
【Formula】
C25 H30 N4 O S
【MolWeight】
434.605
【Inchi】
InChI=1S/C25H30N4OS/c1-7-14-29-23(19-10-12-20(13-11-19)25(4,5)6)27-28-24(29)31-16-22(30)26-21-15-17(2)8-9-18(21)3/h7-13,15H,1,14,16H2,2-6H3,(H,26,30)
【InChIKey】
InChIKey=OAUAVBCLGOXHET-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)NC(=O)CSc2nnc(n2CC=C)c3ccc(cc3)C(C)(C)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[4-ALLYL-5-(4-TERT-BUTYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2,5-DIMETHYLPHENYL)ACETAMIDE.cml
Quick Release
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Sigma-Aldrich Corporation
Catalog No:L445134-1EA 10MG
Country/Region:United States
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Catalog No:L445134-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 539812-69-6 Suppliers>>