539808-61-2
N-(4-ETHOXYPHENYL)-2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(4-ETHOXYPHENYL)-2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-(4-ETHOXYPHENYL)-2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03460682
【English Synonyms】
【Formula】
C26 H26 N4 O4 S
【MolWeight】
490.581
【Inchi】
InChI=1S/C26H26N4O4S/c1-3-33-23-13-9-19(10-14-23)27-25(31)18-35-26-29-28-24(17-34-22-7-5-4-6-8-22)30(26)20-11-15-21(32-2)16-12-20/h4-16H,3,17-18H2,1-2H3,(H,27,31)
【InChIKey】
InChIKey=PLFAHDADXKSXIE-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(cc1)NC(=O)CSc2nnc(n2c3ccc(cc3)OC)COc4ccccc4
【MOL File】
N-(4-ETHOXYPHENYL)-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(4-ETHOXYPHENYL)-2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml