540498-59-7
2-[[5-[(3-CHLOROANILINO)METHYL]-4-(2,5-DIMETHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-METHYLPHENYL)ACETAMIDE
Name
2-[[5-[(3-CHLOROANILINO)METHYL]-4-(2,5-DIMETHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-METHYLPHENYL)ACETAMIDE
Formula
C26 H26 Cl N5 O S
MolWeight
492.044
1Identification
【Name】
2-[[5-[(3-CHLOROANILINO)METHYL]-4-(2,5-DIMETHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03494456
【English Synonyms】
【Formula】
C26 H26 Cl N5 O S
【MolWeight】
492.044
【Inchi】
InChI=1S/C26H26ClN5OS/c1-17-8-11-21(12-9-17)29-25(33)16-34-26-31-30-24(15-28-22-6-4-5-20(27)14-22)32(26)23-13-18(2)7-10-19(23)3/h4-14,28H,15-16H2,1-3H3,(H,29,33)
【InChIKey】
InChIKey=ZSMGQPBGWXPNIE-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)NC(=O)CSc2nnc(n2c3cc(ccc3C)C)CNc4cccc(c4)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[5-[(3-CHLOROANILINO)METHYL]-4-(2,5-DIMETHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-METHYLPHENYL)ACETAMIDE.cml
Quick Release
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Sigma-Aldrich Corporation
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Country/Region:United States
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Catalog No:L445606-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 540498-59-7 Suppliers>>