587012-06-4
N-(2-ETHYL-6-METHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(2-ETHYL-6-METHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-(2-ETHYL-6-METHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04034256
【English Synonyms】
【Formula】
C19 H22 N6 O S
【MolWeight】
382.49
【Inchi】
InChI=1S/C19H22N6OS/c1-4-14-8-6-7-13(3)17(14)22-16(26)12-27-19-24-23-18(25(19)5-2)15-11-20-9-10-21-15/h6-11H,4-5,12H2,1-3H3,(H,22,26)
【InChIKey】
InChIKey=OMAQGVACHUNXCF-UHFFFAOYSA-N
【SMILES】
CCc1cccc(c1NC(=O)CSc2nnc(n2CC)c3cnccn3)C
【MOL File】
N-(2-ETHYL-6-METHYLP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2-ETHYL-6-METHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml