845972-20-5
N-[(1S,2R)-1-[(3,5-DIFLUOROPHENYL)METHYL]-2-HYDROXY-2-[(2R,4R)-4-PHENOXY-2-PYRROLIDINYL]ETHYL]-3-[[(BENZAMIDE
NameN-[(1S,2R)-1-[(3,5-DIFLUOROPHENYL)METHYL]-2-HYDROXY-2-[(2R,4R)-4-PHENOXY-2-PYRROLIDINYL]ETHYL]-3-[[(BENZAMIDE
1Identification
【Name】
N-[(1S,2R)-1-[(3,5-DIFLUOROPHENYL)METHYL]-2-HYDROXY-2-[(2R,4R)-4-PHENOXY-2-PYRROLIDINYL]ETHYL]-3-[[(BENZAMIDE
【CAS】
【MDL】
MFCD16038866
【English Synonyms】
【Formula】
C34 H39 F2 N3 O5
【MolWeight】
607.694
【Inchi】
InChI=1S/C34H39F2N3O5/c1-21-11-23(16-24(12-21)34(42)39-10-6-7-27(39)20-43-2)33(41)38-31(15-22-13-25(35)17-26(36)14-22)32(40)30-18-29(19-37-30)44-28-8-4-3-5-9-28/h3-5,8-9,11-14,16-17,27,29-32,37,40H,6-7,10,15,18-20H2,1-2H3,(H,38,41)/t27-,29-,30-,31+,32-/m1/s1
【InChIKey】
InChIKey=KYHYNSQLYDXSNK-MXWGZHRFSA-N
【SMILES】
Cc1cc(cc(c1)C(=O)N2CCC[C@@H]2COC)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H]([C@H]4C[C@H](CN4)Oc5ccccc5)O
【MOL File】
N-[(1S,2R)-1-[(3,5-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[(1S,2R)-1-[(3,5-DIFLUOROPHENYL)METHYL]-2-HYDROXY-2-[(2R,4R)-4-PHENOXY-2-PYRROLIDINYL]ETHYL]-3-[[(BENZAMIDE.cml