769157-01-9
4-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-PROPOXYBENZOATE
Name4-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-PROPOXYBENZOATE
1Identification
【Name】
4-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05154287
【English Synonyms】
【Formula】
C27 H27 N3 O6
【MolWeight】
489.525
【Inchi】
InChI=1S/C27H27N3O6/c1-3-16-35-22-13-11-20(12-14-22)27(33)36-23-15-10-19(17-24(23)34-4-2)18-28-30-26(32)25(31)29-21-8-6-5-7-9-21/h5-15,17-18H,3-4,16H2,1-2H3,(H,29,31)(H,30,32)/b28-18+
【InChIKey】
InChIKey=JHLPMDAYGDMCSY-MTDXEUNCSA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2OCC)/C=N/NC(=O)C(=O)Nc3ccccc3
【MOL File】
4-(2-(ANILINO(OXO)AC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-PROPOXYBENZOATE.cml