478256-89-2
4,6-DIMETHYL-2-(4-((4-METHYLPHENYL)SULFONYL)-1,4-DIAZEPAN-1-YL)NICOTINONITRILE
Name4,6-DIMETHYL-2-(4-((4-METHYLPHENYL)SULFONYL)-1,4-DIAZEPAN-1-YL)NICOTINONITRILE
1Identification
【Name】
4,6-DIMETHYL-2-(4-((4-METHYLPHENYL)SULFONYL)-1,4-DIAZEPAN-1-YL)NICOTINONITRILE
【CAS】
【MDL】
MFCD02186390
【English Synonyms】
【Formula】
C20 H24 N4 O2 S
【MolWeight】
384.502
【Inchi】
InChI=1S/C20H24N4O2S/c1-15-5-7-18(8-6-15)27(25,26)24-10-4-9-23(11-12-24)20-19(14-21)16(2)13-17(3)22-20/h5-8,13H,4,9-12H2,1-3H3
【InChIKey】
InChIKey=LTEQPXRHTRHFQS-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)N2CCCN(CC2)c3c(c(cc(n3)C)C)C#N
【MOL File】
4,6-DIMETHYL-2-(4-((….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,6-DIMETHYL-2-(4-((4-METHYLPHENYL)SULFONYL)-1,4-DIAZEPAN-1-YL)NICOTINONITRILE.cml