577985-08-1
2-((4-AMINO-5-(3-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(2,6-DIMETHYL-PH)ACETAMIDE
Name2-((4-AMINO-5-(3-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(2,6-DIMETHYL-PH)ACETAMIDE
1Identification
【Name】
2-((4-AMINO-5-(3-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(2,6-DIMETHYL-PH)ACETAMIDE
【CAS】
【MDL】
MFCD04022057
【English Synonyms】
【Formula】
C18 H18 Cl N5 O S
【MolWeight】
387.893
【Inchi】
InChI=1S/C18H18ClN5OS/c1-11-5-3-6-12(2)16(11)21-15(25)10-26-18-23-22-17(24(18)20)13-7-4-8-14(19)9-13/h3-9H,10,20H2,1-2H3,(H,21,25)
【InChIKey】
InChIKey=QMBROLSDUUOGCS-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1NC(=O)CSc2nnc(n2N)c3cccc(c3)Cl)C
【MOL File】
2-((4-AMINO-5-(3-CL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((4-AMINO-5-(3-CL-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(2,6-DIMETHYL-PH)ACETAMIDE.cml