765287-67-0
2(2-(2-((1,1'-BI-PH)-4-YLOXY)PROPANOYL)CARBOHYDRAZONOYL)4-BR-PH 4-ETHOXYBENZOATE
Name2(2-(2-((1,1'-BI-PH)-4-YLOXY)PROPANOYL)CARBOHYDRAZONOYL)4-BR-PH 4-ETHOXYBENZOATE
1Identification
【Name】
2(2-(2-((1,1'-BI-PH)-4-YLOXY)PROPANOYL)CARBOHYDRAZONOYL)4-BR-PH 4-ETHOXYBENZOATE
【CAS】
【MDL】
MFCD06200082
【English Synonyms】
【Formula】
C31 H27 Br N2 O5
【MolWeight】
587.467
【Inchi】
InChI=1S/C31H27BrN2O5/c1-3-37-27-14-11-24(12-15-27)31(36)39-29-18-13-26(32)19-25(29)20-33-34-30(35)21(2)38-28-16-9-23(10-17-28)22-7-5-4-6-8-22/h4-21H,3H2,1-2H3,(H,34,35)/b33-20+
【InChIKey】
InChIKey=ICNAPGDFUIVVEW-FMFFXOCNSA-N
【SMILES】
CCOc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)C(C)Oc3ccc(cc3)c4ccccc4)Br
【MOL File】
2(2-(2-((1,1'-BI-PH)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2(2-(2-((1,1'-BI-PH)-4-YLOXY)PROPANOYL)CARBOHYDRAZONOYL)4-BR-PH 4-ETHOXYBENZOATE.cml