503166-51-6
2H-PYRAN-3-CARBOXAMIDE, TETRAHYDRO-N-HYDROXY-4-[[4-[[2-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-1-YL]METHYL]BENZOYL]AMINO]-, (3R,4R)-
Name2H-PYRAN-3-CARBOXAMIDE, TETRAHYDRO-N-HYDROXY-4-[[4-[[2-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-1-YL]METHYL]BENZOYL]AMINO]-, (3R,4R)-
1Identification
【Name】
2H-PYRAN-3-CARBOXAMIDE, TETRAHYDRO-N-HYDROXY-4-[[4-[[2-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-1-YL]METHYL]BENZOYL]AMINO]-, (3R,4R)-
【CAS】
【MDL】
MFCD11042299
【English Synonyms】
【Formula】
C22 H21 F3 N4 O4
【MolWeight】
462.426
【Inchi】
InChI=1S/C22H21F3N4O4/c23-22(24,25)21-27-17-3-1-2-4-18(17)29(21)11-13-5-7-14(8-6-13)19(30)26-16-9-10-33-12-15(16)20(31)28-32/h1-8,15-16,32H,9-12H2,(H,26,30)(H,28,31)/t15-,16+/m0/s1
【InChIKey】
InChIKey=PGVYYPZKXKGBLD-JKSUJKDBSA-N
【SMILES】
c1ccc2c(c1)nc(n2Cc3ccc(cc3)C(=O)N[C@@H]4CCOC[C@@H]4C(=O)NO)C(F)(F)F
【MOL File】
2H-PYRAN-3-CARBOXAMI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2H-PYRAN-3-CARBOXAMIDE, TETRAHYDRO-N-HYDROXY-4-[[4-[[2-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-1-YL]METHYL]BENZOYL]AMINO]-, (3R,4R)-.cml