769153-55-1
1-(2-((4-CHLOROPHENYL)SULFONYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE
Name1-(2-((4-CHLOROPHENYL)SULFONYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE
FormulaC25 H19 Cl N2 O5 S
1Identification
【Name】
1-(2-((4-CHLOROPHENYL)SULFONYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153410
【English Synonyms】
【Formula】
C25 H19 Cl N2 O5 S
【MolWeight】
494.953
【Inchi】
InChI=1S/C25H19ClN2O5S/c1-32-20-11-6-18(7-12-20)25(29)33-24-15-8-17-4-2-3-5-22(17)23(24)16-27-28-34(30,31)21-13-9-19(26)10-14-21/h2-16,28H,1H3/b27-16+
【InChIKey】
InChIKey=RWFKOUFWSPUOMQ-JVWAILMASA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc3ccccc3c2/C=N/NS(=O)(=O)c4ccc(cc4)Cl
【MOL File】
1-(2-((4-CHLOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-((4-CHLOROPHENYL)SULFONYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE.cml