767320-31-0
4-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
Name4-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
FormulaC23 H20 Cl N3 O4 S
1Identification
【Name】
4-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
【CAS】
【MDL】
MFCD05154475
【English Synonyms】
【Formula】
C23 H20 Cl N3 O4 S
【MolWeight】
469.947
【Inchi】
InChI=1S/C23H20ClN3O4S/c1-29-20-11-8-16(12-21(20)30-2)22(28)31-19-9-6-15(7-10-19)14-25-27-23(32)26-18-5-3-4-17(24)13-18/h3-14H,1-2H3,(H2,26,27,32)/b25-14+
【InChIKey】
InChIKey=QRCIKRIWUGESCE-AFUMVMLFSA-N
【SMILES】
COc1ccc(cc1OC)C(=O)Oc2ccc(cc2)/C=N/NC(=S)Nc3cccc(c3)Cl
【MOL File】
4-(2-((3-CHLOROANILI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE.cml