125971-95-1
TERT-BUTYL (4R,6R)-2-[[[6-(2-4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-(PHENYLCARBAMOYL)PYRROL-1-YL]ETHYL]-2,2-DIMETHYL-1,3-DIOXAN-4-YL]ACETATE
NameTERT-BUTYL (4R,6R)-2-[[[6-(2-4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-(PHENYLCARBAMOYL)PYRROL-1-YL]ETHYL]-2,2-DIMETHYL-1,3-DIOXAN-4-YL]ACETATE
1Identification
【Name】
TERT-BUTYL (4R,6R)-2-[[[6-(2-4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-(PHENYLCARBAMOYL)PYRROL-1-YL]ETHYL]-2,2-DIMETHYL-1,3-DIOXAN-4-YL]ACETATE
【CAS】
【MDL】
MFCD04039904
【English Synonyms】
【Formula】
C40 H47 F N2 O5
【MolWeight】
654.818
【Inchi】
InChI=1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-30-16-12-9-13-17-30)34(27-14-10-8-11-15-27)37(28-18-20-29(41)21-19-28)43(36)23-22-31-24-32(47-40(6,7)46-31)25-33(44)48-39(3,4)5/h8-21,26,31-32H,22-25H2,1-7H3,(H,42,45)/t31-,32-/m1/s1
【InChIKey】
InChIKey=NPPZOMYSGNZDKY-ROJLCIKYSA-N
【SMILES】
CC(C)c1c(c(c(n1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5
【MOL File】
TERT-BUTYL (4R,6R)-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:10.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
TERT-BUTYL (4R,6R)-2-[[[6-(2-4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-(PHENYLCARBAMOYL)PYRROL-1-YL]ETHYL]-2,2-DIMETHYL-1,3-DIOXAN-4-YL]ACETATE.cml