577786-91-5
N-[4-(DIMETHYLAMINO)PHENYL]-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-[4-(DIMETHYLAMINO)PHENYL]-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-[4-(DIMETHYLAMINO)PHENYL]-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04026965
【English Synonyms】
【Formula】
C19 H22 N6 O S
【MolWeight】
382.49
【Inchi】
InChI=1S/C19H22N6OS/c1-4-25-18(14-6-5-11-20-12-14)22-23-19(25)27-13-17(26)21-15-7-9-16(10-8-15)24(2)3/h5-12H,4,13H2,1-3H3,(H,21,26)
【InChIKey】
InChIKey=AUOUXNUWZFLIFV-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)N(C)C)c3cccnc3
【MOL File】
N-[4-(DIMETHYLAMINO)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[4-(DIMETHYLAMINO)PHENYL]-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml