109193-53-5
ACETAMIDE, N-(4-(((IMINO((IMINO((5-(4-METHOXYPHENYL)-1,3,4-THIADIAZOL-2-YL)AMINO)METHYL)AMINO)METHYL)AMINO)SULFONYL)-2-METHYLPHENYL)-, MONOH YDROCHLORIDE
NameACETAMIDE, N-(4-(((IMINO((IMINO((5-(4-METHOXYPHENYL)-1,3,4-THIADIAZOL-2-YL)AMINO)METHYL)AMINO)METHYL)AMINO)SULFONYL)-2-METHYLPHENYL)-, MONOH YDROCHLORIDE
FormulaC20 H22 N8 O4 S2 . Cl H
1Identification
【Name】
ACETAMIDE, N-(4-(((IMINO((IMINO((5-(4-METHOXYPHENYL)-1,3,4-THIADIAZOL-2-YL)AMINO)METHYL)AMINO)METHYL)AMINO)SULFONYL)-2-METHYLPHENYL)-, MONOH YDROCHLORIDE
【CAS】
【MDL】
MFCD01670841
【English Synonyms】
【Formula】
C20 H22 N8 O4 S2 . Cl H
【MolWeight】
539.039
【Inchi】
InChI=1S/C20H22N8O4S2.ClH/c1-11-10-15(8-9-16(11)23-12(2)29)34(30,31)28-19(22)24-18(21)25-20-27-26-17(33-20)13-4-6-14(32-3)7-5-13;/h4-10H,1-3H3,(H,23,29)(H5,21,22,24,25,27,28);1H
【InChIKey】
InChIKey=NYYAZNPEVIFLDN-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1NC(=O)C)S(=O)(=O)NC(=N)NC(=N)Nc2nnc(s2)c3ccc(cc3)OC.Cl
【MOL File】
ACETAMIDE, N-(4-(((I….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:6
H bond acceptor:12
XLogP3:-7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ACETAMIDE, N-(4-(((IMINO((IMINO((5-(4-METHOXYPHENYL)-1,3,4-THIADIAZOL-2-YL)AMINO)METHYL)AMINO)METHYL)AMINO)SULFONYL)-2-METHYLPHENYL)-, MONOH YDROCHLORIDE.cml