767312-36-7
4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
Name4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
1Identification
【Name】
4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05720803
【English Synonyms】
【Formula】
C32 H30 N2 O5
【MolWeight】
522.598
【Inchi】
InChI=1S/C32H30N2O5/c1-3-20-37-28-18-12-27(13-19-28)32(36)39-30-14-8-24(9-15-30)21-33-34-31(35)26-10-16-29(17-11-26)38-22-25-6-4-23(2)5-7-25/h4-19,21H,3,20,22H2,1-2H3,(H,34,35)/b33-21+
【InChIKey】
InChIKey=PXDMUXPSTOPURS-QNKGDIEWSA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)c3ccc(cc3)OCc4ccc(cc4)C
【MOL File】
4-(2-(4-((4-METHYLBE….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
4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE.cml