1044664-24-5
2-AZETIDINONE, 3-[(3S)-3-(ACETYLOXY)-3-(4-FLUOROPHENYL)PROPYL]-1-(4-FLUOROPHENYL)-4-(4-HYDROXYPHENYL)-, (3R,4S)-
Name2-AZETIDINONE, 3-[(3S)-3-(ACETYLOXY)-3-(4-FLUOROPHENYL)PROPYL]-1-(4-FLUOROPHENYL)-4-(4-HYDROXYPHENYL)-, (3R,4S)-
1Identification
【Name】
2-AZETIDINONE, 3-[(3S)-3-(ACETYLOXY)-3-(4-FLUOROPHENYL)PROPYL]-1-(4-FLUOROPHENYL)-4-(4-HYDROXYPHENYL)-, (3R,4S)-
【CAS】
【MDL】
MFCD09835136
【English Synonyms】
【Formula】
C26 H23 F2 N O4
【MolWeight】
451.467
【Inchi】
InChI=1S/C26H23F2NO4/c1-16(30)33-24(17-2-6-19(27)7-3-17)15-14-23-25(18-4-12-22(31)13-5-18)29(26(23)32)21-10-8-20(28)9-11-21/h2-13,23-25,31H,14-15H2,1H3/t23-,24+,25-/m1/s1
【InChIKey】
InChIKey=HFQRXXWTCQBULQ-DSNGMDLFSA-N
【SMILES】
CC(=O)O[C@@H](CC[C@@H]1[C@H](N(C1=O)c2ccc(cc2)F)c3ccc(cc3)O)c4ccc(cc4)F
【MOL File】
2-AZETIDINONE, 3-[(3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-AZETIDINONE, 3-[(3S)-3-(ACETYLOXY)-3-(4-FLUOROPHENYL)PROPYL]-1-(4-FLUOROPHENYL)-4-(4-HYDROXYPHENYL)-, (3R,4S)-.cml