539808-67-8
N-BENZYL-2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-BENZYL-2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-BENZYL-2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03460693
【English Synonyms】
【Formula】
C25 H24 N4 O3 S
【MolWeight】
460.556
【Inchi】
InChI=1S/C25H24N4O3S/c1-31-21-14-12-20(13-15-21)29-23(17-32-22-10-6-3-7-11-22)27-28-25(29)33-18-24(30)26-16-19-8-4-2-5-9-19/h2-15H,16-18H2,1H3,(H,26,30)
【InChIKey】
InChIKey=XNFYPXLFPZOBFS-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)n2c(nnc2SCC(=O)NCc3ccccc3)COc4ccccc4
【MOL File】
N-BENZYL-2-[[4-(4-ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-BENZYL-2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml