539809-72-8
2-([5-[(3-CHLORO-2-METHYLANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-METHOXYPHENYL)ACETAMIDE
Name2-([5-[(3-CHLORO-2-METHYLANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-METHOXYPHENYL)ACETAMIDE
FormulaC25 H24 Cl N5 O2 S
1Identification
【Name】
2-([5-[(3-CHLORO-2-METHYLANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-METHOXYPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03460816
【English Synonyms】
【Formula】
C25 H24 Cl N5 O2 S
【MolWeight】
494.017
【Inchi】
InChI=1S/C25H24ClN5O2S/c1-17-21(26)12-7-13-22(17)27-15-23-29-30-25(31(23)19-9-4-3-5-10-19)34-16-24(32)28-18-8-6-11-20(14-18)33-2/h3-14,27H,15-16H2,1-2H3,(H,28,32)
【InChIKey】
InChIKey=XICUVMAGMISQMZ-UHFFFAOYSA-N
【SMILES】
Cc1c(cccc1Cl)NCc2nnc(n2c3ccccc3)SCC(=O)Nc4cccc(c4)OC
【MOL File】
2-([5-[(3-CHLORO-2-M….mol
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-CHLORO-2-METHYLANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-METHOXYPHENYL)ACETAMIDE.cml