763108-19-6
2-((4-[(2-HYDROXYBENZYL)AMINO]PHENYL)SULFANYL)-N-(3-NITROPHENYL)ACETAMIDE
Name2-((4-[(2-HYDROXYBENZYL)AMINO]PHENYL)SULFANYL)-N-(3-NITROPHENYL)ACETAMIDE
1Identification
【Name】
2-((4-[(2-HYDROXYBENZYL)AMINO]PHENYL)SULFANYL)-N-(3-NITROPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD05154680
【English Synonyms】
【Formula】
C21 H19 N3 O4 S
【MolWeight】
409.464
【Inchi】
InChI=1S/C21H19N3O4S/c25-20-7-2-1-4-15(20)13-22-16-8-10-19(11-9-16)29-14-21(26)23-17-5-3-6-18(12-17)24(27)28/h1-12,22,25H,13-14H2,(H,23,26)
【InChIKey】
InChIKey=CLAOTPANAOUBHZ-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)CNc2ccc(cc2)SCC(=O)Nc3cccc(c3)[N+](=O)[O-])O
【MOL File】
2-((4-[(2-HYDROXYBEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-((4-[(2-HYDROXYBENZYL)AMINO]PHENYL)SULFANYL)-N-(3-NITROPHENYL)ACETAMIDE.cml