769150-55-2
4-BROMO-2-(2-((1-NAPHTHOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BROMO-2-(2-((1-NAPHTHOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-((1-NAPHTHOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153945
【English Synonyms】
【Formula】
C28 H22 Br N3 O5
【MolWeight】
560.402
【Inchi】
InChI=1S/C28H22BrN3O5/c1-36-22-12-9-19(10-13-22)28(35)37-25-14-11-21(29)15-20(25)16-31-32-26(33)17-30-27(34)24-8-4-6-18-5-2-3-7-23(18)24/h2-16H,17H2,1H3,(H,30,34)(H,32,33)/b31-16+
【InChIKey】
InChIKey=KJJDNOZADYQQER-WCMJOSRZSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)CNC(=O)c3cccc4c3cccc4)Br
【MOL File】
4-BROMO-2-(2-((1-NAP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-((1-NAPHTHOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml