697762-60-0
(S)-ETHYL 7-FLUORO-1-(1-HYDROXY-3-METHYLBUTAN-2-YL)-6-IODO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLATE
Name(S)-ETHYL 7-FLUORO-1-(1-HYDROXY-3-METHYLBUTAN-2-YL)-6-IODO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLATE
pro_formulaC17 H19 F I N O4
1Identification
【Name】
(S)-ETHYL 7-FLUORO-1-(1-HYDROXY-3-METHYLBUTAN-2-YL)-6-IODO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD22376649
【EnglishSynonyms】
【pro_formula】
C17 H19 F I N O4
【pro_molWeight】
447.238
【Inchi】
InChI=1S/C17H19FINO4/c1-4-24-17(23)11-7-20(15(8-21)9(2)3)14-6-12(18)13(19)5-10(14)16(11)22/h5-7,9,15,21H,4,8H2,1-3H3/t15-/m1/s1
【InChIKey】
InChIKey=VCHTVAKQQUGTTA-OAHLLOKOSA-N
【SMILES】
CCOC(=O)c1cn(c2cc(c(cc2c1=O)I)F)[C@H](CO)C(C)C
【MOL File】
(S)-ETHYL 7-FLUORO-1….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
(S)-ETHYL 7-FLUORO-1-(1-HYDROXY-3-METHYLBUTAN-2-YL)-6-IODO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLATE.cml