767330-72-3
4-(2-((4-METHOXYANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-((4-METHOXYANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
FormulaC22 H18 Br N3 O3 S
1Identification
【Name】
4-(2-((4-METHOXYANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD06199718
【English Synonyms】
【Formula】
C22 H18 Br N3 O3 S
【MolWeight】
484.372
【Inchi】
InChI=1S/C22H18BrN3O3S/c1-28-17-12-8-16(9-13-17)25-22(30)26-24-14-15-6-10-18(11-7-15)29-21(27)19-4-2-3-5-20(19)23/h2-14H,1H3,(H2,25,26,30)/b24-14+
【InChIKey】
InChIKey=ZKGUCNOZGHOFLP-ZVHZXABRSA-N
【SMILES】
COc1ccc(cc1)NC(=S)N/N=C/c2ccc(cc2)OC(=O)c3ccccc3Br
【MOL File】
4-(2-((4-METHOXYANIL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((4-METHOXYANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml