propan-2-yl 2-cyclopentyl-2,2-dideuterio-N-propan-2-ylethanimidothioate;propan-2-yl 3-deuterio-N-propan-2-ylspiro[5.5]undecane-3-carboximidate;propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate;propan-2-yl 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-N-propan-2-yl-4,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzenecarboximidate;propan-2-yl 2-methyl-N-propan-2-yl-6-(trideuteriomethyl)benzenecarboximidate;propan-2-yl N-propan-2-ylethanimidothioate;propan-2-yl N-propan-2-ylpyrazine-2-carboximidate;propan-2-yl N-propan-2-ylpyridine-2-carboximidate;propan-2-yl N-propan-2-ylpyrimidine-2-carboximidate;propan-2-yl 2,3,3,3-tetradeuterio-2-methyl-N-propan-2-ylpropanimidothioate;propan-2-yl N,2,4,6-tetra(propan-2-yl)benzenecarboximidate;propan-2-yl 2,2,2-trifluoro-N-propan-2-ylethanimidate

C165H282F3N17O9S3 — CID 159155432

IUPACpropan-2-yl 2-cyclopentyl-2,2-dideuterio-N-propan-2-ylethanimidothioate;propan-2-yl 3-deuterio-N-propan-2-ylspiro[5.5]undecane-3-carboximidate;propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate;propan-2-yl 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-N-propan-2-yl-4,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzenecarboximidate;propan-2-yl 2-methyl-N-propan-2-yl-6-(trideuteriomethyl)benzenecarboximidate;propan-2-yl N-propan-2-ylethanimidothioate;propan-2-yl N-propan-2-ylpyrazine-2-carboximidate;propan-2-yl N-propan-2-ylpyridine-2-carboximidate;propan-2-yl N-propan-2-ylpyrimidine-2-carboximidate;propan-2-yl 2,3,3,3-tetradeuterio-2-methyl-N-propan-2-ylpropanimidothioate;propan-2-yl N,2,4,6-tetra(propan-2-yl)benzenecarboximidate;propan-2-yl 2,2,2-trifluoro-N-propan-2-ylethanimidate
SMILESC/C(=N\C(C)C)SC(C)C.CC(C)/N=C(/OC(C)C)C(F)(F)F.CC(C)/N=C(/OC(C)C)c1ccccn1.CC(C)/N=C(/OC(C)C)c1cnccn1.CC(C)/N=C(/OC(C)C)c1ncccn1.CC(C)/N=C(\OC(C)C)c1c(C(C)C)cc(C(C)C)cc1C(C)C.Cc1cccc(C)c1/C(=N/C(C)C)OC(C)C.[2H]C([2H])(/C(=N\C(C)C)SC(C)C)C1CCCC1.[2H]C([2H])([2H])C([2H])(C)/C(=N/C(C)C)SC(C)C.[2H]C([2H])([2H])C([2H])(C)c1cc(C([2H])(C)C([2H])([2H])[2H])c(/C(=N/C(C)C)OC(C)C)c(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c1.[2H]C([2H])([2H])c1cccc(C)c1/C(=N/C(C)C)OC(C)C.[2H]C1(/C(=N/C(C)C)OC(C)C)CCC2(CCCCC2)CC1
InChIInChI=1S/2C22H37NO.C18H33NO.2C15H23NO.C13H25NS.C12H18N2O.2C11H17N3O.C10H21NS.C8H14F3NO.C8H17NS/c2*1-13(2)18-11-19(14(3)4)21(20(12-18)15(5)6)22(23-16(7)8)24-17(9)10;1-14(2)19-17(20-15(3)4)16-8-12-18(13-9-16)10-6-5-7-11-18;2*1-10(2)16-15(17-11(3)4)14-12(5)8-7-9-13(14)6;1-10(2)14-13(15-11(3)4)9-12-7-5-6-8-12;1-9(2)14-12(15-10(3)4)11-7-5-6-8-13-11;1-8(2)14-11(15-9(3)4)10-7-12-5-6-13-10;1-8(2)14-11(15-9(3)4)10-12-6-5-7-13-10;1-7(2)10(11-8(3)4)12-9(5)6;1-5(2)12-7(8(9,10)11)13-6(3)4;1-6(2)9-8(5)10-7(3)4/h2*11-17H,1-10H3;14-16H,5-13H2,1-4H3;2*7-11H,1-6H3;10-12H,5-9H2,1-4H3;5-10H,1-4H3;2*5-9H,1-4H3;7-9H,1-6H3;5-6H,1-4H3;6-7H,1-5H3/b2*23-22-;19-17-;2*16-15-;14-13+;14-12+;2*14-11+;11-10-;12-7+;9-8+/i1D3,3D3,4D3,5D3,13D,14D,15D;;16D;5D3;;9D2;;;;1D3,7D;;
InChIKeyKJVGKRGVWZOYPZ-AFEZQMDESA-N
MW2826.53 g/mol
LogP47.02
Rot. Bonds47

About propan-2-yl 2-cyclopentyl-2,2-dideuterio-N-propan-2-ylethanimidothioate;propan-2-yl 3-deuterio-N-propan-2-ylspiro[5.5]undecane-3-carboximidate;propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate;propan-2-yl 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-N-propan-2-yl-4,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzenecarboximidate;propan-2-yl 2-methyl-N-propan-2-yl-6-(trideuteriomethyl)benzenecarboximidate;propan-2-yl N-propan-2-ylethanimidothioate;propan-2-yl N-propan-2-ylpyrazine-2-carboximidate;propan-2-yl N-propan-2-ylpyridine-2-carboximidate;propan-2-yl N-propan-2-ylpyrimidine-2-carboximidate;propan-2-yl 2,3,3,3-tetradeuterio-2-methyl-N-propan-2-ylpropanimidothioate;propan-2-yl N,2,4,6-tetra(propan-2-yl)benzenecarboximidate;propan-2-yl 2,2,2-trifluoro-N-propan-2-ylethanimidate

propan-2-yl 2-cyclopentyl-2,2-dideuterio-N-propan-2-ylethanimidothioate;propan-2-yl 3-deuterio-N-propan-2-ylspiro[5.5]undecane-3-carboximidate;propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate;propan-2-yl 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-N-propan-2-yl-4,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzenecarboximidate;propan-2-yl 2-methyl-N-propan-2-yl-6-(trideuteriomethyl)benzenecarboximidate;propan-2-yl N-propan-2-ylethanimidothioate;propan-2-yl N-propan-2-ylpyrazine-2-carboximidate;propan-2-yl N-propan-2-ylpyridine-2-carboximidate;propan-2-yl N-propan-2-ylpyrimidine-2-carboximidate;propan-2-yl 2,3,3,3-tetradeuterio-2-methyl-N-propan-2-ylpropanimidothioate;propan-2-yl N,2,4,6-tetra(propan-2-yl)benzenecarboximidate;propan-2-yl 2,2,2-trifluoro-N-propan-2-ylethanimidate (PubChem CID 159155432) has the molecular formula C165H282F3N17O9S3 and a molecular weight of 2826.53 g/mol. Its IUPAC name is propan-2-yl 2-cyclopentyl-2,2-dideuterio-N-propan-2-ylethanimidothioate;propan-2-yl 3-deuterio-N-propan-2-ylspiro[5.5]undecane-3-carboximidate;propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate;propan-2-yl 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-N-propan-2-yl-4,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzenecarboximidate;propan-2-yl 2-methyl-N-propan-2-yl-6-(trideuteriomethyl)benzenecarboximidate;propan-2-yl N-propan-2-ylethanimidothioate;propan-2-yl N-propan-2-ylpyrazine-2-carboximidate;propan-2-yl N-propan-2-ylpyridine-2-carboximidate;propan-2-yl N-propan-2-ylpyrimidine-2-carboximidate;propan-2-yl 2,3,3,3-tetradeuterio-2-methyl-N-propan-2-ylpropanimidothioate;propan-2-yl N,2,4,6-tetra(propan-2-yl)benzenecarboximidate;propan-2-yl 2,2,2-trifluoro-N-propan-2-ylethanimidate.

Molecular Properties

Compound Namepropan-2-yl 2-cyclopentyl-2,2-dideuterio-N-propan-2-ylethanimidothioate;propan-2-yl 3-deuterio-N-propan-2-ylspiro[5.5]undecane-3-carboximidate;propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate;propan-2-yl 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-N-propan-2-yl-4,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzenecarboximidate;propan-2-yl 2-methyl-N-propan-2-yl-6-(trideuteriomethyl)benzenecarboximidate;propan-2-yl N-propan-2-ylethanimidothioate;propan-2-yl N-propan-2-ylpyrazine-2-carboximidate;propan-2-yl N-propan-2-ylpyridine-2-carboximidate;propan-2-yl N-propan-2-ylpyrimidine-2-carboximidate;propan-2-yl 2,3,3,3-tetradeuterio-2-methyl-N-propan-2-ylpropanimidothioate;propan-2-yl N,2,4,6-tetra(propan-2-yl)benzenecarboximidate;propan-2-yl 2,2,2-trifluoro-N-propan-2-ylethanimidate
PubChem CID159155432
Molecular FormulaC165H282F3N17O9S3
Molecular Weight2826.53 g/mol
Exact Mass2824.28
IUPAC Namepropan-2-yl 2-cyclopentyl-2,2-dideuterio-N-propan-2-ylethanimidothioate;propan-2-yl 3-deuterio-N-propan-2-ylspiro[5.5]undecane-3-carboximidate;propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate;propan-2-yl 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-N-propan-2-yl-4,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzenecarboximidate;propan-2-yl 2-methyl-N-propan-2-yl-6-(trideuteriomethyl)benzenecarboximidate;propan-2-yl N-propan-2-ylethanimidothioate;propan-2-yl N-propan-2-ylpyrazine-2-carboximidate;propan-2-yl N-propan-2-ylpyridine-2-carboximidate;propan-2-yl N-propan-2-ylpyrimidine-2-carboximidate;propan-2-yl 2,3,3,3-tetradeuterio-2-methyl-N-propan-2-ylpropanimidothioate;propan-2-yl N,2,4,6-tetra(propan-2-yl)benzenecarboximidate;propan-2-yl 2,2,2-trifluoro-N-propan-2-ylethanimidate
SMILESC/C(=N\C(C)C)SC(C)C.CC(C)/N=C(/OC(C)C)C(F)(F)F.CC(C)/N=C(/OC(C)C)c1ccccn1.CC(C)/N=C(/OC(C)C)c1cnccn1.CC(C)/N=C(/OC(C)C)c1ncccn1.CC(C)/N=C(\OC(C)C)c1c(C(C)C)cc(C(C)C)cc1C(C)C.Cc1cccc(C)c1/C(=N/C(C)C)OC(C)C.[2H]C([2H])(/C(=N\C(C)C)SC(C)C)C1CCCC1.[2H]C([2H])([2H])C([2H])(C)/C(=N/C(C)C)SC(C)C.[2H]C([2H])([2H])C([2H])(C)c1cc(C([2H])(C)C([2H])([2H])[2H])c(/C(=N/C(C)C)OC(C)C)c(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c1.[2H]C([2H])([2H])c1cccc(C)c1/C(=N/C(C)C)OC(C)C.[2H]C1(/C(=N/C(C)C)OC(C)C)CCC2(CCCCC2)CC1
InChIInChI=1S/2C22H37NO.C18H33NO.2C15H23NO.C13H25NS.C12H18N2O.2C11H17N3O.C10H21NS.C8H14F3NO.C8H17NS/c2*1-13(2)18-11-19(14(3)4)21(20(12-18)15(5)6)22(23-16(7)8)24-17(9)10;1-14(2)19-17(20-15(3)4)16-8-12-18(13-9-16)10-6-5-7-11-18;2*1-10(2)16-15(17-11(3)4)14-12(5)8-7-9-13(14)6;1-10(2)14-13(15-11(3)4)9-12-7-5-6-8-12;1-9(2)14-12(15-10(3)4)11-7-5-6-8-13-11;1-8(2)14-11(15-9(3)4)10-7-12-5-6-13-10;1-8(2)14-11(15-9(3)4)10-12-6-5-7-13-10;1-7(2)10(11-8(3)4)12-9(5)6;1-5(2)12-7(8(9,10)11)13-6(3)4;1-6(2)9-8(5)10-7(3)4/h2*11-17H,1-10H3;14-16H,5-13H2,1-4H3;2*7-11H,1-6H3;10-12H,5-9H2,1-4H3;5-10H,1-4H3;2*5-9H,1-4H3;7-9H,1-6H3;5-6H,1-4H3;6-7H,1-5H3/b2*23-22-;19-17-;2*16-15-;14-13+;14-12+;2*14-11+;11-10-;12-7+;9-8+/i1D3,3D3,4D3,5D3,13D,14D,15D;;16D;5D3;;9D2;;;;1D3,7D;;
InChIKeyKJVGKRGVWZOYPZ-AFEZQMDESA-N
XLogP47.02
TPSA295.84 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds47
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002826.53
LogP ≤ 547.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze propan-2-yl 2-cyclopentyl-2,2-dideuterio-N-propan-2-ylethanimidothioate;propan-2-yl 3-deuterio-N-propan-2-ylspiro[5.5]undecane-3-carboximidate;propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate;propan-2-yl 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-N-propan-2-yl-4,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzenecarboximidate;propan-2-yl 2-methyl-N-propan-2-yl-6-(trideuteriomethyl)benzenecarboximidate;propan-2-yl N-propan-2-ylethanimidothioate;propan-2-yl N-propan-2-ylpyrazine-2-carboximidate;propan-2-yl N-propan-2-ylpyridine-2-carboximidate;propan-2-yl N-propan-2-ylpyrimidine-2-carboximidate;propan-2-yl 2,3,3,3-tetradeuterio-2-methyl-N-propan-2-ylpropanimidothioate;propan-2-yl N,2,4,6-tetra(propan-2-yl)benzenecarboximidate;propan-2-yl 2,2,2-trifluoro-N-propan-2-ylethanimidate with MolForge

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Launch Full Analysis

Related Compounds

propan-2-yl 2-cyclopentyl-2,2-dideuterio-N-propan-2-ylethanimidothioate;propan-2-yl 1-deuterio-4,4-dimethyl-N-propan-2-ylcyclohexane-1-carboximidothioate;propan-2-yl 3-deuterio-N-propan-2-ylspiro[5.5]undecane-3-carboximidothioate;propan-2-yl 2,2-dideuterio-3,3-dimethyl-N-propan-2-ylbutanimidothioate;propan-2-yl 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-N-propan-2-yl-4,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzenecarboximidate;propan-2-yl 2-methyl-N-propan-2-yl-6-(trideuteriomethyl)benzenecarboximidate;propan-2-yl N-propan-2-ylethanimidothioate;propan-2-yl N-propan-2-ylpyrazine-2-carboximidate;propan-2-yl N-propan-2-ylpyridine-2-carboximidate;propan-2-yl N-propan-2-ylpyrimidine-2-carboximidate;propan-2-yl 2,3,3,3-tetradeuterio-2-methyl-N-propan-2-ylpropanimidothioate;propan-2-yl N,2,4,6-tetra(propan-2-yl)benzenecarboximidate;propan-2-yl 2,2,2-trifluoro-N-propan-2-ylethanimidate
CID 162258948
2-[4-[10-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]anthracen-9-yl]phenyl]-4,4,5,5-tetramethyl-1,3-oxazole;2-[5-[10-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)pyrazin-2-yl]anthracen-9-yl]pyrazin-2-yl]-5,5-dimethyl-4H-1,3-oxazole;4,4-dimethyl-2-[4-[10-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]anthracen-9-yl]phenyl]-5H-1,3-oxazole;4,4-dimethyl-2-[4-[10-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-5H-1,3-thiazole;2-[4-[10-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-4,5-dihydro-1,3-oxazole;4,4,5,5-tetramethyl-2-[2-[2-phenyl-10-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)pyrimidin-2-yl]anthracen-9-yl]pyrimidin-5-yl]-1,3-oxazole
CID 158563464
2-[4-[2,6-bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,5-dihydro-1,3-oxazole;2-[4-[2,6-bis[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;3-[3,5-bis[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(2,4,4,5,5-pentamethylimidazol-1-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine;3-[3,5-bis[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]phenyl]-5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridine;2-[5-[3,5-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]phenyl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
CID 160555331
(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(2-methylpyrimidin-4-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-methylpyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyridin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-pyrimidin-2-yl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 160691509
2-[5-[2,6-bis[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;2-[6-[2,6-bis[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;2-[6-[2,6-bis[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]pyrimidin-4-yl]-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole;2,4,6-tris[5-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]pyrimidine;2,4,6-tris[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]pyrimidine;2,4,6-tris[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]pyrimidine
CID 160842645

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-cyclopentyl-2,2-dideuterio-N-propan-2-ylethanimidothioate;propan-2-yl 3-deuterio-N-propan-2-ylspiro[5.5]undecane-3-carboximidate;propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate;propan-2-yl 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-N-propan-2-yl-4,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzenecarboximidate;propan-2-yl 2-methyl-N-propan-2-yl-6-(trideuteriomethyl)benzenecarboximidate;propan-2-yl N-propan-2-ylethanimidothioate;propan-2-yl N-propan-2-ylpyrazine-2-carboximidate;propan-2-yl N-propan-2-ylpyridine-2-carboximidate;propan-2-yl N-propan-2-ylpyrimidine-2-carboximidate;propan-2-yl 2,3,3,3-tetradeuterio-2-methyl-N-propan-2-ylpropanimidothioate;propan-2-yl N,2,4,6-tetra(propan-2-yl)benzenecarboximidate;propan-2-yl 2,2,2-trifluoro-N-propan-2-ylethanimidate?
The IUPAC name of propan-2-yl 2-cyclopentyl-2,2-dideuterio-N-propan-2-ylethanimidothioate;propan-2-yl 3-deuterio-N-propan-2-ylspiro[5.5]undecane-3-carboximidate;propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate;propan-2-yl 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-N-propan-2-yl-4,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzenecarboximidate;propan-2-yl 2-methyl-N-propan-2-yl-6-(trideuteriomethyl)benzenecarboximidate;propan-2-yl N-propan-2-ylethanimidothioate;propan-2-yl N-propan-2-ylpyrazine-2-carboximidate;propan-2-yl N-propan-2-ylpyridine-2-carboximidate;propan-2-yl N-propan-2-ylpyrimidine-2-carboximidate;propan-2-yl 2,3,3,3-tetradeuterio-2-methyl-N-propan-2-ylpropanimidothioate;propan-2-yl N,2,4,6-tetra(propan-2-yl)benzenecarboximidate;propan-2-yl 2,2,2-trifluoro-N-propan-2-ylethanimidate (CID 159155432) is propan-2-yl 2-cyclopentyl-2,2-dideuterio-N-propan-2-ylethanimidothioate;propan-2-yl 3-deuterio-N-propan-2-ylspiro[5.5]undecane-3-carboximidate;propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate;propan-2-yl 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-N-propan-2-yl-4,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzenecarboximidate;propan-2-yl 2-methyl-N-propan-2-yl-6-(trideuteriomethyl)benzenecarboximidate;propan-2-yl N-propan-2-ylethanimidothioate;propan-2-yl N-propan-2-ylpyrazine-2-carboximidate;propan-2-yl N-propan-2-ylpyridine-2-carboximidate;propan-2-yl N-propan-2-ylpyrimidine-2-carboximidate;propan-2-yl 2,3,3,3-tetradeuterio-2-methyl-N-propan-2-ylpropanimidothioate;propan-2-yl N,2,4,6-tetra(propan-2-yl)benzenecarboximidate;propan-2-yl 2,2,2-trifluoro-N-propan-2-ylethanimidate.
What is the SMILES notation for propan-2-yl 2-cyclopentyl-2,2-dideuterio-N-propan-2-ylethanimidothioate;propan-2-yl 3-deuterio-N-propan-2-ylspiro[5.5]undecane-3-carboximidate;propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate;propan-2-yl 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-N-propan-2-yl-4,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzenecarboximidate;propan-2-yl 2-methyl-N-propan-2-yl-6-(trideuteriomethyl)benzenecarboximidate;propan-2-yl N-propan-2-ylethanimidothioate;propan-2-yl N-propan-2-ylpyrazine-2-carboximidate;propan-2-yl N-propan-2-ylpyridine-2-carboximidate;propan-2-yl N-propan-2-ylpyrimidine-2-carboximidate;propan-2-yl 2,3,3,3-tetradeuterio-2-methyl-N-propan-2-ylpropanimidothioate;propan-2-yl N,2,4,6-tetra(propan-2-yl)benzenecarboximidate;propan-2-yl 2,2,2-trifluoro-N-propan-2-ylethanimidate?
The canonical SMILES for propan-2-yl 2-cyclopentyl-2,2-dideuterio-N-propan-2-ylethanimidothioate;propan-2-yl 3-deuterio-N-propan-2-ylspiro[5.5]undecane-3-carboximidate;propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate;propan-2-yl 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-N-propan-2-yl-4,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzenecarboximidate;propan-2-yl 2-methyl-N-propan-2-yl-6-(trideuteriomethyl)benzenecarboximidate;propan-2-yl N-propan-2-ylethanimidothioate;propan-2-yl N-propan-2-ylpyrazine-2-carboximidate;propan-2-yl N-propan-2-ylpyridine-2-carboximidate;propan-2-yl N-propan-2-ylpyrimidine-2-carboximidate;propan-2-yl 2,3,3,3-tetradeuterio-2-methyl-N-propan-2-ylpropanimidothioate;propan-2-yl N,2,4,6-tetra(propan-2-yl)benzenecarboximidate;propan-2-yl 2,2,2-trifluoro-N-propan-2-ylethanimidate is C/C(=N\C(C)C)SC(C)C.CC(C)/N=C(/OC(C)C)C(F)(F)F.CC(C)/N=C(/OC(C)C)c1ccccn1.CC(C)/N=C(/OC(C)C)c1cnccn1.CC(C)/N=C(/OC(C)C)c1ncccn1.CC(C)/N=C(\OC(C)C)c1c(C(C)C)cc(C(C)C)cc1C(C)C.Cc1cccc(C)c1/C(=N/C(C)C)OC(C)C.[2H]C([2H])(/C(=N\C(C)C)SC(C)C)C1CCCC1.[2H]C([2H])([2H])C([2H])(C)/C(=N/C(C)C)SC(C)C.[2H]C([2H])([2H])C([2H])(C)c1cc(C([2H])(C)C([2H])([2H])[2H])c(/C(=N/C(C)C)OC(C)C)c(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c1.[2H]C([2H])([2H])c1cccc(C)c1/C(=N/C(C)C)OC(C)C.[2H]C1(/C(=N/C(C)C)OC(C)C)CCC2(CCCCC2)CC1.
What is the InChIKey of propan-2-yl 2-cyclopentyl-2,2-dideuterio-N-propan-2-ylethanimidothioate;propan-2-yl 3-deuterio-N-propan-2-ylspiro[5.5]undecane-3-carboximidate;propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate;propan-2-yl 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-N-propan-2-yl-4,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzenecarboximidate;propan-2-yl 2-methyl-N-propan-2-yl-6-(trideuteriomethyl)benzenecarboximidate;propan-2-yl N-propan-2-ylethanimidothioate;propan-2-yl N-propan-2-ylpyrazine-2-carboximidate;propan-2-yl N-propan-2-ylpyridine-2-carboximidate;propan-2-yl N-propan-2-ylpyrimidine-2-carboximidate;propan-2-yl 2,3,3,3-tetradeuterio-2-methyl-N-propan-2-ylpropanimidothioate;propan-2-yl N,2,4,6-tetra(propan-2-yl)benzenecarboximidate;propan-2-yl 2,2,2-trifluoro-N-propan-2-ylethanimidate?
The InChIKey is KJVGKRGVWZOYPZ-AFEZQMDESA-N. The full InChI is InChI=1S/2C22H37NO.C18H33NO.2C15H23NO.C13H25NS.C12H18N2O.2C11H17N3O.C10H21NS.C8H14F3NO.C8H17NS/c2*1-13(2)18-11-19(14(3)4)21(20(12-18)15(5)6)22(23-16(7)8)24-17(9)10;1-14(2)19-17(20-15(3)4)16-8-12-18(13-9-16)10-6-5-7-11-18;2*1-10(2)16-15(17-11(3)4)14-12(5)8-7-9-13(14)6;1-10(2)14-13(15-11(3)4)9-12-7-5-6-8-12;1-9(2)14-12(15-10(3)4)11-7-5-6-8-13-11;1-8(2)14-11(15-9(3)4)10-7-12-5-6-13-10;1-8(2)14-11(15-9(3)4)10-12-6-5-7-13-10;1-7(2)10(11-8(3)4)12-9(5)6;1-5(2)12-7(8(9,10)11)13-6(3)4;1-6(2)9-8(5)10-7(3)4/h2*11-17H,1-10H3;14-16H,5-13H2,1-4H3;2*7-11H,1-6H3;10-12H,5-9H2,1-4H3;5-10H,1-4H3;2*5-9H,1-4H3;7-9H,1-6H3;5-6H,1-4H3;6-7H,1-5H3/b2*23-22-;19-17-;2*16-15-;14-13+;14-12+;2*14-11+;11-10-;12-7+;9-8+/i1D3,3D3,4D3,5D3,13D,14D,15D;;16D;5D3;;9D2;;;;1D3,7D;;.
What are the key properties of propan-2-yl 2-cyclopentyl-2,2-dideuterio-N-propan-2-ylethanimidothioate;propan-2-yl 3-deuterio-N-propan-2-ylspiro[5.5]undecane-3-carboximidate;propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate;propan-2-yl 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-N-propan-2-yl-4,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzenecarboximidate;propan-2-yl 2-methyl-N-propan-2-yl-6-(trideuteriomethyl)benzenecarboximidate;propan-2-yl N-propan-2-ylethanimidothioate;propan-2-yl N-propan-2-ylpyrazine-2-carboximidate;propan-2-yl N-propan-2-ylpyridine-2-carboximidate;propan-2-yl N-propan-2-ylpyrimidine-2-carboximidate;propan-2-yl 2,3,3,3-tetradeuterio-2-methyl-N-propan-2-ylpropanimidothioate;propan-2-yl N,2,4,6-tetra(propan-2-yl)benzenecarboximidate;propan-2-yl 2,2,2-trifluoro-N-propan-2-ylethanimidate?
propan-2-yl 2-cyclopentyl-2,2-dideuterio-N-propan-2-ylethanimidothioate;propan-2-yl 3-deuterio-N-propan-2-ylspiro[5.5]undecane-3-carboximidate;propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate;propan-2-yl 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-N-propan-2-yl-4,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzenecarboximidate;propan-2-yl 2-methyl-N-propan-2-yl-6-(trideuteriomethyl)benzenecarboximidate;propan-2-yl N-propan-2-ylethanimidothioate;propan-2-yl N-propan-2-ylpyrazine-2-carboximidate;propan-2-yl N-propan-2-ylpyridine-2-carboximidate;propan-2-yl N-propan-2-ylpyrimidine-2-carboximidate;propan-2-yl 2,3,3,3-tetradeuterio-2-methyl-N-propan-2-ylpropanimidothioate;propan-2-yl N,2,4,6-tetra(propan-2-yl)benzenecarboximidate;propan-2-yl 2,2,2-trifluoro-N-propan-2-ylethanimidate has a molecular weight of 2826.53 g/mol, XLogP of 47.02, 47 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-cyclopentyl-2,2-dideuterio-N-propan-2-ylethanimidothioate;propan-2-yl 3-deuterio-N-propan-2-ylspiro[5.5]undecane-3-carboximidate;propan-2-yl 2,6-dimethyl-N-propan-2-ylbenzenecarboximidate;propan-2-yl 2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-N-propan-2-yl-4,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzenecarboximidate;propan-2-yl 2-methyl-N-propan-2-yl-6-(trideuteriomethyl)benzenecarboximidate;propan-2-yl N-propan-2-ylethanimidothioate;propan-2-yl N-propan-2-ylpyrazine-2-carboximidate;propan-2-yl N-propan-2-ylpyridine-2-carboximidate;propan-2-yl N-propan-2-ylpyrimidine-2-carboximidate;propan-2-yl 2,3,3,3-tetradeuterio-2-methyl-N-propan-2-ylpropanimidothioate;propan-2-yl N,2,4,6-tetra(propan-2-yl)benzenecarboximidate;propan-2-yl 2,2,2-trifluoro-N-propan-2-ylethanimidate is sourced from PubChem (CID 159155432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).