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
1Identification
【Name】
(S)-N-[2-[7-ALLYL-5-BROMO-2,3-DIHYDRO-6-HYDROXY-1H-INDEN-1-YL]ETHYL]PROPANAMIDE
【CAS】
【MDL】
MFCD16251174
【English Synonyms】
【Formula】
C17 H22 Br N O2
【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
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(S)-N-[2-[7-ALLYL-5-BROMO-2,3-DIHYDRO-6-HYDROXY-1H-INDEN-1-YL]ETHYL]PROPANAMIDE.cml