767339-17-3
4-BROMO-2-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BROMO-2-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
FormulaC23 H20 Br N3 O3 S
1Identification
【Name】
4-BROMO-2-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05152349
【English Synonyms】
【Formula】
C23 H20 Br N3 O3 S
【MolWeight】
498.399
【Inchi】
InChI=1S/C23H20BrN3O3S/c1-15-4-3-5-19(12-15)26-23(31)27-25-14-17-13-18(24)8-11-21(17)30-22(28)16-6-9-20(29-2)10-7-16/h3-14H,1-2H3,(H2,26,27,31)/b25-14+
【InChIKey】
InChIKey=VXFUQWPHDZUDDN-AFUMVMLFSA-N
【SMILES】
Cc1cccc(c1)NC(=S)N/N=C/c2cc(ccc2OC(=O)c3ccc(cc3)OC)Br
【MOL File】
4-BROMO-2-(2-(3-TOLU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml