765912-83-2
2-MEO-4-(2-((4-METHOXYANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PH 3-BROMOBENZOATE
Name2-MEO-4-(2-((4-METHOXYANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PH 3-BROMOBENZOATE
FormulaC23 H20 Br N3 O4 S
1Identification
【Name】
2-MEO-4-(2-((4-METHOXYANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PH 3-BROMOBENZOATE
【CAS】
【MDL】
MFCD06199780
【English Synonyms】
【Formula】
C23 H20 Br N3 O4 S
【MolWeight】
514.398
【Inchi】
InChI=1S/C23H20BrN3O4S/c1-29-19-9-7-18(8-10-19)26-23(32)27-25-14-15-6-11-20(21(12-15)30-2)31-22(28)16-4-3-5-17(24)13-16/h3-14H,1-2H3,(H2,26,27,32)/b25-14+
【InChIKey】
InChIKey=GNTZJKIZKPNLGW-AFUMVMLFSA-N
【SMILES】
COc1ccc(cc1)NC(=S)N/N=C/c2ccc(c(c2)OC)OC(=O)c3cccc(c3)Br
【MOL File】
2-MEO-4-(2-((4-METHO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-MEO-4-(2-((4-METHOXYANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PH 3-BROMOBENZOATE.cml