744198-19-4
BENZYL (S)-1-((3-BROMO-4,5-DIHYDROISOXAZOL-5-YL)METHYLAMINO)-3-(4-HYDROXYPHENYL)-1-OXOPROPAN-2-YLCARBAMATE
NameBENZYL (S)-1-((3-BROMO-4,5-DIHYDROISOXAZOL-5-YL)METHYLAMINO)-3-(4-HYDROXYPHENYL)-1-OXOPROPAN-2-YLCARBAMATE
pro_formulaC21 H22 Br N3 O5
1Identification
【Name】
BENZYL (S)-1-((3-BROMO-4,5-DIHYDROISOXAZOL-5-YL)METHYLAMINO)-3-(4-HYDROXYPHENYL)-1-OXOPROPAN-2-YLCARBAMATE
【CAS】
【MDL】
MFCD12032123
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H22 Br N3 O5
【pro_molWeight】
476.325
【Inchi】
InChI=1S/C21H22BrN3O5/c22-19-11-17(30-25-19)12-23-20(27)18(10-14-6-8-16(26)9-7-14)24-21(28)29-13-15-4-2-1-3-5-15/h1-9,17-18,26H,10-13H2,(H,23,27)(H,24,28)/t17?,18-/m0/s1
【InChIKey】
InChIKey=MRULUIQNANUWTK-ZVAWYAOSSA-N
【SMILES】
c1ccc(cc1)COC(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)NCC3CC(=NO3)Br
【MOL File】
BENZYL (S)-1-((3-BRO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:8
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
BENZYL (S)-1-((3-BROMO-4,5-DIHYDROISOXAZOL-5-YL)METHYLAMINO)-3-(4-HYDROXYPHENYL)-1-OXOPROPAN-2-YLCARBAMATE.cml