539809-57-9
2-([5-[(3,4-DICHLOROANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-PHENOXYPHENYL)ACETAMIDE
Name
2-([5-[(3,4-DICHLOROANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-PHENOXYPHENYL)ACETAMIDE
Formula
C29 H23 Cl2 N5 O2 S
MolWeight
576.506
1Identification
【Name】
2-([5-[(3,4-DICHLOROANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-PHENOXYPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03460779
【English Synonyms】
【Formula】
C29 H23 Cl2 N5 O2 S
【MolWeight】
576.506
【Inchi】
InChI=1S/C29H23Cl2N5O2S/c30-25-16-13-21(17-26(25)31)32-18-27-34-35-29(36(27)22-7-3-1-4-8-22)39-19-28(37)33-20-11-14-24(15-12-20)38-23-9-5-2-6-10-23/h1-17,32H,18-19H2,(H,33,37)
【InChIKey】
InChIKey=MMZYJMZXWPZVMY-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)n2c(nnc2SCC(=O)Nc3ccc(cc3)Oc4ccccc4)CNc5ccc(c(c5)Cl)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-([5-[(3,4-DICHLOROANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-PHENOXYPHENYL)ACETAMIDE.cml
Quick Release
2-[BIS(2-METHYLPROPYL)AMINO]-4-METHYLBENZENE-1-CARBOXIMIDAMIDE
2-(AMINOMETHYL)-N,5-DIMETHYL-N-(OXAN-2-YLMETHYL)ANILINE
2-(AMINOMETHYL)-N-ETHYL-5-METHYL-N-(OXOLAN-2-YLMETHYL)ANILINE
2-(AMINOMETHYL)-N-ETHYL-5-METHYL-N-(THIOPHEN-2-YLMETHYL)ANILINE
4-METHYL-2-([2-(PIPERIDIN-1-YL)PROPYL]AMINO)BENZONITRILE
4-METHYL-2-([(3-METHYL-1,2,4-OXADIAZOL-5-YL)METHYL]AMINO)BENZONITRILE
TOP Suppliers
Sigma-Aldrich Corporation
Catalog No:L444537-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 539809-57-9 Suppliers>>
Catalog No:L444537-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 539809-57-9 Suppliers>>
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4-METHYL-2-([2-(PIPERIDIN-1-YL)PROPYL]AMINO)BENZONITRILE
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