769152-73-0
3-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name3-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
pro_formulaC29 H23 Cl N2 O4
1Identification
【Name】
3-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153507
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C29 H23 Cl N2 O4
【pro_molWeight】
498.964
【Inchi】
InChI=1S/C29H23ClN2O4/c1-20-5-7-21(8-6-20)19-35-26-15-11-23(12-16-26)28(33)32-31-18-22-3-2-4-27(17-22)36-29(34)24-9-13-25(30)14-10-24/h2-18H,19H2,1H3,(H,32,33)/b31-18+
【InChIKey】
InChIKey=XRLKTGHNLZTRTC-FDAWAROLSA-N
【SMILES】
Cc1ccc(cc1)COc2ccc(cc2)C(=O)N/N=C/c3cccc(c3)OC(=O)c4ccc(cc4)Cl
【MOL File】
3-(2-(4-((4-METHYLBE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:6.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml