765912-01-4
4-(2-((2-(ANILINOCARBONYL)ANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-MEO-PH BENZOATE
Name4-(2-((2-(ANILINOCARBONYL)ANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-MEO-PH BENZOATE
1Identification
【Name】
4-(2-((2-(ANILINOCARBONYL)ANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-MEO-PH BENZOATE
【CAS】
【MDL】
MFCD06199794
【English Synonyms】
【Formula】
C30 H24 N4 O6
【MolWeight】
536.542
【Inchi】
InChI=1S/C30H24N4O6/c1-39-26-18-20(16-17-25(26)40-30(38)21-10-4-2-5-11-21)19-31-34-29(37)28(36)33-24-15-9-8-14-23(24)27(35)32-22-12-6-3-7-13-22/h2-19H,1H3,(H,32,35)(H,33,36)(H,34,37)/b31-19+
【InChIKey】
InChIKey=RENXLVHSKGGWDV-ZCTHSVRISA-N
【SMILES】
COc1cc(ccc1OC(=O)c2ccccc2)/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)Nc4ccccc4
【MOL File】
4-(2-((2-(ANILINOCAR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:10
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((2-(ANILINOCARBONYL)ANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-MEO-PH BENZOATE.cml