578000-89-2
N-[4-(ACETYLAMINO)PHENYL]-2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-[4-(ACETYLAMINO)PHENYL]-2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-[4-(ACETYLAMINO)PHENYL]-2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04023516
【English Synonyms】
【Formula】
C20 H20 N6 O2 S
【MolWeight】
408.484
【Inchi】
InChI=1S/C20H20N6O2S/c1-3-12-26-19(17-6-4-5-11-21-17)24-25-20(26)29-13-18(28)23-16-9-7-15(8-10-16)22-14(2)27/h3-11H,1,12-13H2,2H3,(H,22,27)(H,23,28)
【InChIKey】
InChIKey=APFXPVRUEPPMSC-UHFFFAOYSA-N
【SMILES】
CC(=O)Nc1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)c3ccccn3
【MOL File】
N-[4-(ACETYLAMINO)PH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[4-(ACETYLAMINO)PHENYL]-2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml