587010-73-9
ACETAMIDE, 2-[[4-(2-FURANYLMETHYL)-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-
Name
ACETAMIDE, 2-[[4-(2-FURANYLMETHYL)-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-
Formula
C26 H20 N4 O4 S2
MolWeight
516.6
1Identification
【Name】
ACETAMIDE, 2-[[4-(2-FURANYLMETHYL)-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-
【CAS】
【MDL】
MFCD04033787
【English Synonyms】
【Formula】
C26 H20 N4 O4 S2
【MolWeight】
516.6
【Inchi】
InChI=1S/C26H20N4O4S2/c1-32-22-12-18-17-7-2-3-8-20(17)34-21(18)13-19(22)27-24(31)15-36-26-29-28-25(23-9-5-11-35-23)30(26)14-16-6-4-10-33-16/h2-13H,14-15H2,1H3,(H,27,31)
【InChIKey】
InChIKey=QIKMVHMNZWYHHE-UHFFFAOYSA-N
【SMILES】
COc1cc2c3ccccc3oc2cc1NC(=O)CSc4nnc(n4Cc5ccco5)c6cccs6
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ACETAMIDE, 2-[[4-(2-FURANYLMETHYL)-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-.cml
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