769156-18-5
4-BROMO-2-(2-(4-((PHENYLSULFONYL)AMINO)BENZOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
Name4-BROMO-2-(2-(4-((PHENYLSULFONYL)AMINO)BENZOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
FormulaC27 H20 Br N3 O5 S
1Identification
【Name】
4-BROMO-2-(2-(4-((PHENYLSULFONYL)AMINO)BENZOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
【CAS】
【MDL】
MFCD05154351
【English Synonyms】
【Formula】
C27 H20 Br N3 O5 S
【MolWeight】
578.441
【Inchi】
InChI=1S/C27H20BrN3O5S/c28-22-13-16-25(36-27(33)20-7-3-1-4-8-20)21(17-22)18-29-30-26(32)19-11-14-23(15-12-19)31-37(34,35)24-9-5-2-6-10-24/h1-18,31H,(H,30,32)/b29-18+
【InChIKey】
InChIKey=IMZZCUNNUCUZNU-RDRPBHBLSA-N
【SMILES】
c1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccc(cc3)NS(=O)(=O)c4ccccc4)Br
【MOL File】
4-BROMO-2-(2-(4-((PH….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-BROMO-2-(2-(4-((PHENYLSULFONYL)AMINO)BENZOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE.cml