577985-69-4
2-[[4-(2-FURANYLMETHYL)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-ACETAMIDE
Name2-[[4-(2-FURANYLMETHYL)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-ACETAMIDE
1Identification
【Name】
2-[[4-(2-FURANYLMETHYL)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-ACETAMIDE
【CAS】
【MDL】
MFCD04021818
【English Synonyms】
【Formula】
C27 H21 N5 O4 S
【MolWeight】
511.56
【Inchi】
InChI=1S/C27H21N5O4S/c1-34-24-12-20-19-8-2-3-9-22(19)36-23(20)13-21(24)29-25(33)16-37-27-31-30-26(17-6-4-10-28-14-17)32(27)15-18-7-5-11-35-18/h2-14H,15-16H2,1H3,(H,29,33)
【InChIKey】
InChIKey=CYGWARQAEKMLSJ-UHFFFAOYSA-N
【SMILES】
COc1cc2c3ccccc3oc2cc1NC(=O)CSc4nnc(n4Cc5ccco5)c6cccnc6
【MOL File】
2-[[4-(2-FURANYLMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[4-(2-FURANYLMETHYL)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-ACETAMIDE.cml