539812-48-1
2-[[4-ALLYL-5-(4-TERT-BUTYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-METHOXYPHENYL)ACETAMIDE
Name2-[[4-ALLYL-5-(4-TERT-BUTYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-METHOXYPHENYL)ACETAMIDE
1Identification
【Name】
2-[[4-ALLYL-5-(4-TERT-BUTYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-METHOXYPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD05154918
【English Synonyms】
【Formula】
C24 H28 N4 O2 S
【MolWeight】
436.577
【Inchi】
InChI=1S/C24H28N4O2S/c1-6-14-28-22(17-10-12-18(13-11-17)24(2,3)4)26-27-23(28)31-16-21(29)25-19-8-7-9-20(15-19)30-5/h6-13,15H,1,14,16H2,2-5H3,(H,25,29)
【InChIKey】
InChIKey=UFCKIACKAZXZJH-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1ccc(cc1)c2nnc(n2CC=C)SCC(=O)Nc3cccc(c3)OC
【MOL File】
2-[[4-ALLYL-5-(4-TER….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[4-ALLYL-5-(4-TERT-BUTYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-METHOXYPHENYL)ACETAMIDE.cml