767312-42-5
4-(2-(((3,4-DIMETHOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PH 2-THIOPHENECARBOXYLATE
Name4-(2-(((3,4-DIMETHOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PH 2-THIOPHENECARBOXYLATE
1Identification
【Name】
4-(2-(((3,4-DIMETHOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PH 2-THIOPHENECARBOXYLATE
【CAS】
【MDL】
MFCD05720800
【English Synonyms】
【Formula】
C23 H21 N3 O6 S
【MolWeight】
467.5
【Inchi】
InChI=1S/C23H21N3O6S/c1-30-18-10-7-16(12-19(18)31-2)22(28)24-14-21(27)26-25-13-15-5-8-17(9-6-15)32-23(29)20-4-3-11-33-20/h3-13H,14H2,1-2H3,(H,24,28)(H,26,27)/b25-13+
【InChIKey】
InChIKey=JUAINNUGEMUJIN-DHRITJCHSA-N
【SMILES】
COc1ccc(cc1OC)C(=O)NCC(=O)N/N=C/c2ccc(cc2)OC(=O)c3cccs3
【MOL File】
4-(2-(((3,4-DIMETHOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(((3,4-DIMETHOXYBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)PH 2-THIOPHENECARBOXYLATE.cml