769142-35-0
4-(2-(4-((PHENYLSULFONYL)AMINO)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-(4-((PHENYLSULFONYL)AMINO)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
FormulaC27 H20 Br N3 O5 S
1Identification
【Name】
4-(2-(4-((PHENYLSULFONYL)AMINO)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD06199514
【English Synonyms】
【Formula】
C27 H20 Br N3 O5 S
【MolWeight】
578.441
【Inchi】
InChI=1S/C27H20BrN3O5S/c28-25-9-5-4-8-24(25)27(33)36-22-16-10-19(11-17-22)18-29-30-26(32)20-12-14-21(15-13-20)31-37(34,35)23-6-2-1-3-7-23/h1-18,31H,(H,30,32)/b29-18+
【InChIKey】
InChIKey=BDHVIQWSKJDRJE-RDRPBHBLSA-N
【SMILES】
c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C(=O)N/N=C/c3ccc(cc3)OC(=O)c4ccccc4Br
【MOL File】
4-(2-(4-((PHENYLSULF….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(4-((PHENYLSULFONYL)AMINO)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml