882749-69-1
2-((4-[(4-([2-(4-BUTYLANILINO)-2-OXOETHYL]SULFANYL)PHENYL)SULFANYL]PHENYL)SULFANYL)-N-(4-BUTYLPHENYL)ACETAMIDE
Name2-((4-[(4-([2-(4-BUTYLANILINO)-2-OXOETHYL]SULFANYL)PHENYL)SULFANYL]PHENYL)SULFANYL)-N-(4-BUTYLPHENYL)ACETAMIDE
1Identification
【Name】
2-((4-[(4-([2-(4-BUTYLANILINO)-2-OXOETHYL]SULFANYL)PHENYL)SULFANYL]PHENYL)SULFANYL)-N-(4-BUTYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD05150547
【English Synonyms】
【Formula】
C36 H40 N2 O2 S3
【MolWeight】
628.922
【Inchi】
InChI=1S/C36H40N2O2S3/c1-3-5-7-27-9-13-29(14-10-27)37-35(39)25-41-31-17-21-33(22-18-31)43-34-23-19-32(20-24-34)42-26-36(40)38-30-15-11-28(12-16-30)8-6-4-2/h9-24H,3-8,25-26H2,1-2H3,(H,37,39)(H,38,40)
【InChIKey】
InChIKey=CNXDLJIGXFEASC-UHFFFAOYSA-N
【SMILES】
CCCCc1ccc(cc1)NC(=O)CSc2ccc(cc2)Sc3ccc(cc3)SCC(=O)Nc4ccc(cc4)CCCC
【MOL File】
2-((4-[(4-([2-(4-BUT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:10.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((4-[(4-([2-(4-BUTYLANILINO)-2-OXOETHYL]SULFANYL)PHENYL)SULFANYL]PHENYL)SULFANYL)-N-(4-BUTYLPHENYL)ACETAMIDE.cml