738612-05-0
N(4-(ACETYLAMINO)PH)-2-((4-ALLYL-5-(2-FURYL)4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
NameN(4-(ACETYLAMINO)PH)-2-((4-ALLYL-5-(2-FURYL)4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
1Identification
【Name】
N(4-(ACETYLAMINO)PH)-2-((4-ALLYL-5-(2-FURYL)4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
【CAS】
【MDL】
MFCD04016253
【English Synonyms】
【Formula】
C19 H19 N5 O3 S
【MolWeight】
397.457
【Inchi】
InChI=1S/C19H19N5O3S/c1-3-10-24-18(16-5-4-11-27-16)22-23-19(24)28-12-17(26)21-15-8-6-14(7-9-15)20-13(2)25/h3-9,11H,1,10,12H2,2H3,(H,20,25)(H,21,26)
【InChIKey】
InChIKey=AHJMUGSRLXBDDK-UHFFFAOYSA-N
【SMILES】
CC(=O)Nc1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)c3ccco3
【MOL File】
N(4-(ACETYLAMINO)PH)….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
N(4-(ACETYLAMINO)PH)-2-((4-ALLYL-5-(2-FURYL)4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE.cml