769149-42-0
4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
Name4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
1Identification
【Name】
4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE
【CAS】
【MDL】
MFCD05154075
【English Synonyms】
【Formula】
C24 H23 N3 O4 S
【MolWeight】
449.529
【Inchi】
InChI=1S/C24H23N3O4S/c1-16-5-4-6-19(13-16)26-24(32)27-25-15-17-7-10-20(11-8-17)31-23(28)18-9-12-21(29-2)22(14-18)30-3/h4-15H,1-3H3,(H2,26,27,32)/b25-15+
【InChIKey】
InChIKey=IQVXBDYCWOSOER-MFKUBSTISA-N
【SMILES】
Cc1cccc(c1)NC(=S)N/N=C/c2ccc(cc2)OC(=O)c3ccc(c(c3)OC)OC
【MOL File】
4-(2-(3-TOLUIDINOCAR….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-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATE.cml