196597-86-1
(S)-N-[2-[7-ALLYL-5-BROMO-2,3-DIHYDRO-6-HYDROXY-1H-INDEN-1-YL]ETHYL]PROPANAMIDE
Name(S)-N-[2-[7-ALLYL-5-BROMO-2,3-DIHYDRO-6-HYDROXY-1H-INDEN-1-YL]ETHYL]PROPANAMIDE
pro_formulaC17 H22 Br N O2
1Identification
【Name】
(S)-N-[2-[7-ALLYL-5-BROMO-2,3-DIHYDRO-6-HYDROXY-1H-INDEN-1-YL]ETHYL]PROPANAMIDE
【CAS】
【MDL】
MFCD16251174
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H22 Br N O2
【pro_molWeight】
352.27
【Inchi】
InChI=1S/C17H22BrNO2/c1-3-5-13-16-11(8-9-19-15(20)4-2)6-7-12(16)10-14(18)17(13)21/h3,10-11,21H,1,4-9H2,2H3,(H,19,20)/t11-/m0/s1
【InChIKey】
InChIKey=SOKCOMOZGLSICY-NSHDSACASA-N
【SMILES】
CCC(=O)NCC[C@@H]1CCc2c1c(c(c(c2)Br)O)CC=C
【MOL File】
(S)-N-[2-[7-ALLYL-5-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:3
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(S)-N-[2-[7-ALLYL-5-BROMO-2,3-DIHYDRO-6-HYDROXY-1H-INDEN-1-YL]ETHYL]PROPANAMIDE.cml