767314-11-4
4-(2-(((3,4-DIMETHOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)2-MEO-PH 4-BUTOXYBENZOATE
Name4-(2-(((3,4-DIMETHOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)2-MEO-PH 4-BUTOXYBENZOATE
1Identification
【Name】
4-(2-(((3,4-DIMETHOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)2-MEO-PH 4-BUTOXYBENZOATE
【CAS】
【MDL】
MFCD05720775
【English Synonyms】
【Formula】
C30 H33 N3 O8
【MolWeight】
563.604
【Inchi】
InChI=1S/C30H33N3O8/c1-5-6-15-40-23-11-8-21(9-12-23)30(36)41-25-13-7-20(16-26(25)38-3)18-32-33-28(34)19-31-29(35)22-10-14-24(37-2)27(17-22)39-4/h7-14,16-18H,5-6,15,19H2,1-4H3,(H,31,35)(H,33,34)/b32-18+
【InChIKey】
InChIKey=CJJCMYQBJYHLIQ-KCSSXMTESA-N
【SMILES】
CCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2OC)/C=N/NC(=O)CNC(=O)c3ccc(c(c3)OC)OC
【MOL File】
4-(2-(((3,4-DIMETHOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:11
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(((3,4-DIMETHOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)2-MEO-PH 4-BUTOXYBENZOATE.cml