767313-95-1
4-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
Name4-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
FormulaC24 H22 Cl N3 O3 S
1Identification
【Name】
4-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05720791
【English Synonyms】
【Formula】
C24 H22 Cl N3 O3 S
【MolWeight】
467.975
【Inchi】
InChI=1S/C24H22ClN3O3S/c1-2-14-30-21-12-8-18(9-13-21)23(29)31-22-10-6-17(7-11-22)16-26-28-24(32)27-20-5-3-4-19(25)15-20/h3-13,15-16H,2,14H2,1H3,(H2,27,28,32)/b26-16+
【InChIKey】
InChIKey=RGWOEBVTANHZBM-WGOQTCKBSA-N
【SMILES】
CCCOc1ccc(cc1)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:6
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE.cml