1079843-65-4
(R)-TERT-BUTYL (3-(5-(2,5-DIFLUOROPHENYL)-3-(METHOXY(METHYL)CARBAMOYL)-2-PHENYL-2,3-DIHYDRO-1,3,4-THIADIAZOL-2-YL)PROPYL)CARBAMATE
Name(R)-TERT-BUTYL (3-(5-(2,5-DIFLUOROPHENYL)-3-(METHOXY(METHYL)CARBAMOYL)-2-PHENYL-2,3-DIHYDRO-1,3,4-THIADIAZOL-2-YL)PROPYL)CARBAMATE
FormulaC25 H30 F2 N4 O4 S
1Identification
【Name】
(R)-TERT-BUTYL (3-(5-(2,5-DIFLUOROPHENYL)-3-(METHOXY(METHYL)CARBAMOYL)-2-PHENYL-2,3-DIHYDRO-1,3,4-THIADIAZOL-2-YL)PROPYL)CARBAMATE
【CAS】
【MDL】
MFCD23142968
【English Synonyms】
【Formula】
C25 H30 F2 N4 O4 S
【MolWeight】
520.598
【Inchi】
InChI=1S/C25H30F2N4O4S/c1-24(2,3)35-22(32)28-15-9-14-25(17-10-7-6-8-11-17)31(23(33)30(4)34-5)29-21(36-25)19-16-18(26)12-13-20(19)27/h6-8,10-13,16H,9,14-15H2,1-5H3,(H,28,32)/t25-/m1/s1
【InChIKey】
InChIKey=ODPINCLJBXCQIN-RUZDIDTESA-N
【SMILES】
CC(C)(C)OC(=O)NCCC[C@]1(N(N=C(S1)c2cc(ccc2F)F)C(=O)N(C)OC)c3ccccc3
【MOL File】
(R)-TERT-BUTYL (3-(5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(R)-TERT-BUTYL (3-(5-(2,5-DIFLUOROPHENYL)-3-(METHOXY(METHYL)CARBAMOYL)-2-PHENYL-2,3-DIHYDRO-1,3,4-THIADIAZOL-2-YL)PROPYL)CARBAMATE.cml