769150-19-8
4-BR-2-(2-(((3-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BR-2-(2-(((3-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
4-BR-2-(2-(((3-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153987
【English Synonyms】
【Formula】
C25 H22 Br N3 O5
【MolWeight】
524.369
【Inchi】
InChI=1S/C25H22BrN3O5/c1-16-4-3-5-18(12-16)24(31)27-15-23(30)29-28-14-19-13-20(26)8-11-22(19)34-25(32)17-6-9-21(33-2)10-7-17/h3-14H,15H2,1-2H3,(H,27,31)(H,29,30)/b28-14+
【InChIKey】
InChIKey=DSCWBQDFIRNXLC-CCVNUDIWSA-N
【SMILES】
Cc1cccc(c1)C(=O)NCC(=O)N/N=C/c2cc(ccc2OC(=O)c3ccc(cc3)OC)Br
【MOL File】
4-BR-2-(2-(((3-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(((3-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml