956964-50-4
(3AR)-5-(2-HYDROXYPHENYL)-3A-METHYL-6-[3-(TRIFLUOROMETHYL)BENZOYL]HEXAHYDROPYRROLO[2,3-B]PYRROL-2(1H)-ONE
Name
(3AR)-5-(2-HYDROXYPHENYL)-3A-METHYL-6-[3-(TRIFLUOROMETHYL)BENZOYL]HEXAHYDROPYRROLO[2,3-B]PYRROL-2(1H)-ONE
pro_formula
C21 H19 F3 N2 O3
pro_molWeight
404.386
1Identification
【Name】
(3AR)-5-(2-HYDROXYPHENYL)-3A-METHYL-6-[3-(TRIFLUOROMETHYL)BENZOYL]HEXAHYDROPYRROLO[2,3-B]PYRROL-2(1H)-ONE
【CAS】
【MDL】
MFCD05670064
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H19 F3 N2 O3
【pro_molWeight】
404.386
【Inchi】
InChI=1S/C21H19F3N2O3/c1-20-10-15(14-7-2-3-8-16(14)27)26(19(20)25-17(28)11-20)18(29)12-5-4-6-13(9-12)21(22,23)24/h2-9,15,19,27H,10-11H2,1H3,(H,25,28)/t15?,19?,20-/m1/s1
【InChIKey】
InChIKey=DOQSYCNJTJREJJ-RGKRWLCDSA-N
【SMILES】
C[C@]12CC(N(C1NC(=O)C2)C(=O)c3cccc(c3)C(F)(F)F)c4ccccc4O
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(3AR)-5-(2-HYDROXYPHENYL)-3A-METHYL-6-[3-(TRIFLUOROMETHYL)BENZOYL]HEXAHYDROPYRROLO[2,3-B]PYRROL-2(1H)-ONE.cml
quick_release
6-AMINO-N-CYCLOHEXYLPYRIDINE-3-SULFONAMIDE
2-BUTOXYETHYL 2-(3-AMINO-1H-PYRAZOL-1-YL)ACETATE
2-(THIOPHEN-2-YL)ETHYL 2-(3-AMINO-1H-PYRAZOL-1-YL)ACETATE
(TERT-BUTYLCARBAMOYL)METHYL 2-(3-AMINO-1H-PYRAZOL-1-YL)ACETATE
(3-METHYLPHENYL)METHYL 2-(3-AMINO-1H-PYRAZOL-1-YL)ACETATE
(2-METHYLPHENYL)METHYL 2-(3-AMINO-1H-PYRAZOL-1-YL)ACETATE
SuppliersList
Relatedproducts
6-AMINO-N-CYCLOHEXYLPYRIDINE-3-SULFONAMIDE
2-BUTOXYETHYL 2-(3-AMINO-1H-PYRAZOL-1-YL)ACETATE
2-(THIOPHEN-2-YL)ETHYL 2-(3-AMINO-1H-PYRAZOL-1-YL)ACETATE
(TERT-BUTYLCARBAMOYL)METHYL 2-(3-AMINO-1H-PYRAZOL-1-YL)ACETATE
(3-METHYLPHENYL)METHYL 2-(3-AMINO-1H-PYRAZOL-1-YL)ACETATE
(2-METHYLPHENYL)METHYL 2-(3-AMINO-1H-PYRAZOL-1-YL)ACETATE