769152-18-3
4-(2-(4-(((4-CL-PH)SULFONYL)AMINO)BENZOYL)CARBOHYDRAZONOYL)PH 2-BROMOBENZOATE
Name4-(2-(4-(((4-CL-PH)SULFONYL)AMINO)BENZOYL)CARBOHYDRAZONOYL)PH 2-BROMOBENZOATE
FormulaC27 H19 Br Cl N3 O5 S
1Identification
【Name】
4-(2-(4-(((4-CL-PH)SULFONYL)AMINO)BENZOYL)CARBOHYDRAZONOYL)PH 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD05153573
【English Synonyms】
【Formula】
C27 H19 Br Cl N3 O5 S
【MolWeight】
612.886
【Inchi】
InChI=1S/C27H19BrClN3O5S/c28-25-4-2-1-3-24(25)27(34)37-22-13-5-18(6-14-22)17-30-31-26(33)19-7-11-21(12-8-19)32-38(35,36)23-15-9-20(29)10-16-23/h1-17,32H,(H,31,33)/b30-17+
【InChIKey】
InChIKey=CZHGNYWDUBYAGC-OCSSWDANSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)c3ccc(cc3)NS(=O)(=O)c4ccc(cc4)Cl)Br
【MOL File】
4-(2-(4-(((4-CL-PH)S….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(4-(((4-CL-PH)SULFONYL)AMINO)BENZOYL)CARBOHYDRAZONOYL)PH 2-BROMOBENZOATE.cml