557063-68-0
N-(3,5-DI-MEO-PH)-2-((4-ET-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
NameN-(3,5-DI-MEO-PH)-2-((4-ET-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
1Identification
【Name】
N-(3,5-DI-MEO-PH)-2-((4-ET-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
【CAS】
【MDL】
MFCD03856895
【English Synonyms】
【Formula】
C19 H21 N5 O3 S
【MolWeight】
399.473
【Inchi】
InChI=1S/C19H21N5O3S/c1-4-24-18(13-5-7-20-8-6-13)22-23-19(24)28-12-17(25)21-14-9-15(26-2)11-16(10-14)27-3/h5-11H,4,12H2,1-3H3,(H,21,25)
【InChIKey】
InChIKey=DBTFVMGLWGAPCG-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2cc(cc(c2)OC)OC)c3ccncc3
【MOL File】
N-(3,5-DI-MEO-PH)-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3,5-DI-MEO-PH)-2-((4-ET-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE.cml