767305-52-2
4-(2-((4-FLUOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
Name4-(2-((4-FLUOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
1Identification
【Name】
4-(2-((4-FLUOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
【CAS】
【MDL】
MFCD05720973
【English Synonyms】
【Formula】
C23 H20 F N3 O4 S
【MolWeight】
453.492
【Inchi】
InChI=1S/C23H20FN3O4S/c1-29-20-12-5-16(13-21(20)30-2)22(28)31-19-10-3-15(4-11-19)14-25-27-23(32)26-18-8-6-17(24)7-9-18/h3-14H,1-2H3,(H2,26,27,32)/b25-14+
【InChIKey】
InChIKey=FLXOGQKYYZWZAI-AFUMVMLFSA-N
【SMILES】
COc1ccc(cc1OC)C(=O)Oc2ccc(cc2)/C=N/NC(=S)Nc3ccc(cc3)F
【MOL File】
4-(2-((4-FLUOROANILI….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-((4-FLUOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE.cml