956401-90-4
2-((3AR)-3A-METHYL-5-OXO-1-(3-(TRIFLUOROMETHYL)BENZOYL)OCTAHYDROPYRROLO(2,3-B)PYRROL-2-YL)PHENYL-3-(TRIFLUOROMETHYL)BENZENECARBOXYLATE
Name
2-((3AR)-3A-METHYL-5-OXO-1-(3-(TRIFLUOROMETHYL)BENZOYL)OCTAHYDROPYRROLO(2,3-B)PYRROL-2-YL)PHENYL-3-(TRIFLUOROMETHYL)BENZENECARBOXYLATE
pro_formula
C29 H22 F6 N2 O4
pro_molWeight
576.491
1Identification
【Name】
2-((3AR)-3A-METHYL-5-OXO-1-(3-(TRIFLUOROMETHYL)BENZOYL)OCTAHYDROPYRROLO(2,3-B)PYRROL-2-YL)PHENYL-3-(TRIFLUOROMETHYL)BENZENECARBOXYLATE
【CAS】
【MDL】
MFCD05670055
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C29 H22 F6 N2 O4
【pro_molWeight】
576.491
【Inchi】
InChI=1S/C29H22F6N2O4/c1-27-14-21(20-10-2-3-11-22(20)41-25(40)17-7-5-9-19(13-17)29(33,34)35)37(26(27)36-23(38)15-27)24(39)16-6-4-8-18(12-16)28(30,31)32/h2-13,21,26H,14-15H2,1H3,(H,36,38)/t21?,26?,27-/m1/s1
【InChIKey】
InChIKey=KWBCDTPXEICAEJ-ZSPKOWADSA-N
【SMILES】
C[C@]12CC(N(C1NC(=O)C2)C(=O)c3cccc(c3)C(F)(F)F)c4ccccc4OC(=O)c5cccc(c5)C(F)(F)F
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-((3AR)-3A-METHYL-5-OXO-1-(3-(TRIFLUOROMETHYL)BENZOYL)OCTAHYDROPYRROLO(2,3-B)PYRROL-2-YL)PHENYL-3-(TRIFLUOROMETHYL)BENZENECARBOXYLATE.cml
quick_release
TERT-BUTYL(([1-(2-METHOXYETHOXY)-3-METHYLCYCLOHEXYL]METHYL))AMINE
([1-(2-BUTOXYETHOXY)-3-METHYLCYCLOHEXYL]METHYL)(ETHYL)AMINE
ETHYL(([3-METHYL-1-(PENTYLOXY)CYCLOHEXYL]METHYL))AMINE
METHYL(([3-METHYL-1-(OXOLAN-3-YLMETHOXY)CYCLOHEXYL]METHYL))AMINE
N-([3-METHYL-1-(OXOLAN-3-YLMETHOXY)CYCLOHEXYL]METHYL)CYCLOPROPANAMINE
([3-METHYL-1-(2,2,2-TRIFLUOROETHOXY)CYCLOHEXYL]METHYL)(PROPAN-2-YL)AMINE
SuppliersList
Relatedproducts
TERT-BUTYL(([1-(2-METHOXYETHOXY)-3-METHYLCYCLOHEXYL]METHYL))AMINE
([1-(2-BUTOXYETHOXY)-3-METHYLCYCLOHEXYL]METHYL)(ETHYL)AMINE
ETHYL(([3-METHYL-1-(PENTYLOXY)CYCLOHEXYL]METHYL))AMINE
METHYL(([3-METHYL-1-(OXOLAN-3-YLMETHOXY)CYCLOHEXYL]METHYL))AMINE
N-([3-METHYL-1-(OXOLAN-3-YLMETHOXY)CYCLOHEXYL]METHYL)CYCLOPROPANAMINE
([3-METHYL-1-(2,2,2-TRIFLUOROETHOXY)CYCLOHEXYL]METHYL)(PROPAN-2-YL)AMINE