764656-92-0
3-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name3-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
3-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05154575
【English Synonyms】
【Formula】
C23 H21 N3 O3 S
【MolWeight】
419.503
【Inchi】
InChI=1S/C23H21N3O3S/c1-16-5-3-7-19(13-16)25-23(30)26-24-15-17-6-4-8-21(14-17)29-22(27)18-9-11-20(28-2)12-10-18/h3-15H,1-2H3,(H2,25,26,30)/b24-15+
【InChIKey】
InChIKey=BBUDEDUHWBFFNF-BUVRLJJBSA-N
【SMILES】
Cc1cccc(c1)NC(=S)N/N=C/c2cccc(c2)OC(=O)c3ccc(cc3)OC
【MOL File】
3-(2-(3-TOLUIDINOCAR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml