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Systematic Name, Synonym, Trade Name,
Registry Number, SMILES or InChI

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4 hits found in 0.08 seconds.
Search terms: LALFOYNTGMUKGG
Found by InChIKey (skeleton match)

GridTileTableRecordChemReferEntrezPubChem

ID

Structure

Empirical Formula

Molecular Weight

Monoisotopic Mass, Da

LogP

ACD/LogD (pH 5.5)

ACD/LogD (pH 7.4)

InChI=1/2C22H28FN3O6S.Ca/c2*1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;/h2*5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;;+2/p-2/t2*16-,17-;/m11./s1

C₄₄H₅₄CaF₂N₆O₁₂S₂

1001.1374

1000.283509

InChI=1/2C22H28FN3O6S.Ca/c2*1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;/h2*5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;;+2/p-2/b2*10-9+;/t2*16-,17-;/m11./s1

C₄₄H₅₄CaF₂N₆O₁₂S₂

1001.1374

1000.283509

ACD/LogP:

0.42

-0.95

-2.71

InChI=1/2C22H28FN3O6S.Ca/c2*1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;/h2*5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;;+2/p-2/b2*10-9+;/t2*16-,17+;/m00./s1

C₄₄H₅₄CaF₂N₆O₁₂S₂

1001.1374

1000.283509

ACD/LogP:

0.42

-0.95

-2.71

InChI=1/2C22H28FN3O6S.Ca/c2*1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;/h2*5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;;+2/p-2

C₄₄H₅₄CaF₂N₆O₁₂S₂

1001.1374

1000.283509