573950-10-4
2-((4-AMINO-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)N-(4-PHENOXY-PH)ACETAMIDE
Name2-((4-AMINO-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)N-(4-PHENOXY-PH)ACETAMIDE
1Identification
【Name】
2-((4-AMINO-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)N-(4-PHENOXY-PH)ACETAMIDE
【CAS】
【MDL】
MFCD04021341
【English Synonyms】
【Formula】
C21 H18 N6 O2 S
【MolWeight】
418.479
【Inchi】
InChI=1S/C21H18N6O2S/c22-27-20(15-10-12-23-13-11-15)25-26-21(27)30-14-19(28)24-16-6-8-18(9-7-16)29-17-4-2-1-3-5-17/h1-13H,14,22H2,(H,24,28)
【InChIKey】
InChIKey=OXXUPGJOBNFPSM-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)Oc2ccc(cc2)NC(=O)CSc3nnc(n3N)c4ccncc4
【MOL File】
2-((4-AMINO-5-(4-PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((4-AMINO-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)N-(4-PHENOXY-PH)ACETAMIDE.cml