2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]acetic acid;2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]-N-methylacetamide;1-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[3-fluoro-4-(3-methylsulfonylpropoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(1-propanoylcyclopropyl)methoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one

C140H135F6N19O21S7 — CID 157217285

IUPAC2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]acetic acid;2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]-N-methylacetamide;1-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[3-fluoro-4-(3-methylsulfonylpropoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(1-propanoylcyclopropyl)methoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILES[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCC(=O)NC)c(F)c3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCC(=O)O)c(F)c3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCC4(C(=O)CC)CC4)c(F)c3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCC4(C(=O)O)CC4)c(F)c3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCC4CCOC4)c(F)c3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCCCS(C)(=O)=O)c(F)c3)C2=S)cc1C
InChIInChI=1S/C26H26FN3O3S.C24H22FN3O4S.C24H24FN3O3S.C23H24FN3O4S2.C22H21FN4O3S.C21H18FN3O4S/c1-6-22(31)26(11-12-26)15-33-21-10-8-18(14-19(21)27)30-24(34)29(23(32)25(30,3)4)17-7-9-20(28-5)16(2)13-17;1-14-11-15(5-7-18(14)26-4)27-20(29)23(2,3)28(22(27)33)16-6-8-19(17(25)12-16)32-13-24(9-10-24)21(30)31;1-15-11-17(5-7-20(15)26-4)27-22(29)24(2,3)28(23(27)32)18-6-8-21(19(25)12-18)31-14-16-9-10-30-13-16;1-15-13-16(7-9-19(15)25-4)26-21(28)23(2,3)27(22(26)32)17-8-10-20(18(24)14-17)31-11-6-12-33(5,29)30;1-13-10-14(6-8-17(13)24-4)26-20(29)22(2,3)27(21(26)31)15-7-9-18(16(23)11-15)30-12-19(28)25-5;1-12-9-13(5-7-16(12)23-4)24-19(28)21(2,3)25(20(24)30)14-6-8-17(15(22)10-14)29-11-18(26)27/h7-10,13-14H,6,11-12,15H2,1-4H3;5-8,11-12H,9-10,13H2,1-3H3,(H,30,31);5-8,11-12,16H,9-10,13-14H2,1-3H3;7-10,13-14H,6,11-12H2,1-3,5H3;6-11H,12H2,1-3,5H3,(H,25,28);5-10H,11H2,1-3H3,(H,26,27)
InChIKeyASOLLQMTPXLVLX-UHFFFAOYSA-N
MW2758.19 g/mol
LogP27.81
Rot. Bonds35

About 2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]acetic acid;2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]-N-methylacetamide;1-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[3-fluoro-4-(3-methylsulfonylpropoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(1-propanoylcyclopropyl)methoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one

2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]acetic acid;2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]-N-methylacetamide;1-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[3-fluoro-4-(3-methylsulfonylpropoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(1-propanoylcyclopropyl)methoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 157217285) has the molecular formula C140H135F6N19O21S7 and a molecular weight of 2758.19 g/mol. Its IUPAC name is 2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]acetic acid;2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]-N-methylacetamide;1-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[3-fluoro-4-(3-methylsulfonylpropoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(1-propanoylcyclopropyl)methoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]acetic acid;2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]-N-methylacetamide;1-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[3-fluoro-4-(3-methylsulfonylpropoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(1-propanoylcyclopropyl)methoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
PubChem CID157217285
Molecular FormulaC140H135F6N19O21S7
Molecular Weight2758.19 g/mol
Exact Mass2755.80
IUPAC Name2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]acetic acid;2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]-N-methylacetamide;1-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[3-fluoro-4-(3-methylsulfonylpropoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(1-propanoylcyclopropyl)methoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILES[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCC(=O)NC)c(F)c3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCC(=O)O)c(F)c3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCC4(C(=O)CC)CC4)c(F)c3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCC4(C(=O)O)CC4)c(F)c3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCC4CCOC4)c(F)c3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCCCS(C)(=O)=O)c(F)c3)C2=S)cc1C
InChIInChI=1S/C26H26FN3O3S.C24H22FN3O4S.C24H24FN3O3S.C23H24FN3O4S2.C22H21FN4O3S.C21H18FN3O4S/c1-6-22(31)26(11-12-26)15-33-21-10-8-18(14-19(21)27)30-24(34)29(23(32)25(30,3)4)17-7-9-20(28-5)16(2)13-17;1-14-11-15(5-7-18(14)26-4)27-20(29)23(2,3)28(22(27)33)16-6-8-19(17(25)12-16)32-13-24(9-10-24)21(30)31;1-15-11-17(5-7-20(15)26-4)27-22(29)24(2,3)28(23(27)32)18-6-8-21(19(25)12-18)31-14-16-9-10-30-13-16;1-15-13-16(7-9-19(15)25-4)26-21(28)23(2,3)27(22(26)32)17-8-10-20(18(24)14-17)31-11-6-12-33(5,29)30;1-13-10-14(6-8-17(13)24-4)26-20(29)22(2,3)27(21(26)31)15-7-9-18(16(23)11-15)30-12-19(28)25-5;1-12-9-13(5-7-16(12)23-4)24-19(28)21(2,3)25(20(24)30)14-6-8-17(15(22)10-14)29-11-18(26)27/h7-10,13-14H,6,11-12,15H2,1-4H3;5-8,11-12H,9-10,13H2,1-3H3,(H,30,31);5-8,11-12,16H,9-10,13-14H2,1-3H3;7-10,13-14H,6,11-12H2,1-3,5H3;6-11H,12H2,1-3,5H3,(H,25,28);5-10H,11H2,1-3H3,(H,26,27)
InChIKeyASOLLQMTPXLVLX-UHFFFAOYSA-N
XLogP27.81
TPSA386.98 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds35
Heavy Atoms193
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002758.19
LogP ≤ 527.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]acetic acid;2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]-N-methylacetamide;1-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[3-fluoro-4-(3-methylsulfonylpropoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(1-propanoylcyclopropyl)methoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]acetic acid;2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]-N-methylacetamide;1-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[3-fluoro-4-(3-methylsulfonylpropoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(1-propanoylcyclopropyl)methoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]acetic acid;2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]-N-methylacetamide;1-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[3-fluoro-4-(3-methylsulfonylpropoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(1-propanoylcyclopropyl)methoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one (CID 157217285) is 2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]acetic acid;2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]-N-methylacetamide;1-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[3-fluoro-4-(3-methylsulfonylpropoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(1-propanoylcyclopropyl)methoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]acetic acid;2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]-N-methylacetamide;1-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[3-fluoro-4-(3-methylsulfonylpropoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(1-propanoylcyclopropyl)methoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]acetic acid;2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]-N-methylacetamide;1-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[3-fluoro-4-(3-methylsulfonylpropoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(1-propanoylcyclopropyl)methoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one is [C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCC(=O)NC)c(F)c3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCC(=O)O)c(F)c3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCC4(C(=O)CC)CC4)c(F)c3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCC4(C(=O)O)CC4)c(F)c3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCC4CCOC4)c(F)c3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCCCS(C)(=O)=O)c(F)c3)C2=S)cc1C.
What is the InChIKey of 2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]acetic acid;2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]-N-methylacetamide;1-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[3-fluoro-4-(3-methylsulfonylpropoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(1-propanoylcyclopropyl)methoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is ASOLLQMTPXLVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3S.C24H22FN3O4S.C24H24FN3O3S.C23H24FN3O4S2.C22H21FN4O3S.C21H18FN3O4S/c1-6-22(31)26(11-12-26)15-33-21-10-8-18(14-19(21)27)30-24(34)29(23(32)25(30,3)4)17-7-9-20(28-5)16(2)13-17;1-14-11-15(5-7-18(14)26-4)27-20(29)23(2,3)28(22(27)33)16-6-8-19(17(25)12-16)32-13-24(9-10-24)21(30)31;1-15-11-17(5-7-20(15)26-4)27-22(29)24(2,3)28(23(27)32)18-6-8-21(19(25)12-18)31-14-16-9-10-30-13-16;1-15-13-16(7-9-19(15)25-4)26-21(28)23(2,3)27(22(26)32)17-8-10-20(18(24)14-17)31-11-6-12-33(5,29)30;1-13-10-14(6-8-17(13)24-4)26-20(29)22(2,3)27(21(26)31)15-7-9-18(16(23)11-15)30-12-19(28)25-5;1-12-9-13(5-7-16(12)23-4)24-19(28)21(2,3)25(20(24)30)14-6-8-17(15(22)10-14)29-11-18(26)27/h7-10,13-14H,6,11-12,15H2,1-4H3;5-8,11-12H,9-10,13H2,1-3H3,(H,30,31);5-8,11-12,16H,9-10,13-14H2,1-3H3;7-10,13-14H,6,11-12H2,1-3,5H3;6-11H,12H2,1-3,5H3,(H,25,28);5-10H,11H2,1-3H3,(H,26,27).
What are the key properties of 2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]acetic acid;2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]-N-methylacetamide;1-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[3-fluoro-4-(3-methylsulfonylpropoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(1-propanoylcyclopropyl)methoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one?
2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]acetic acid;2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]-N-methylacetamide;1-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[3-fluoro-4-(3-methylsulfonylpropoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(1-propanoylcyclopropyl)methoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 2758.19 g/mol, XLogP of 27.81, 35 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]acetic acid;2-[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]-N-methylacetamide;1-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]methyl]cyclopropane-1-carboxylic acid;1-[3-fluoro-4-(3-methylsulfonylpropoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(1-propanoylcyclopropyl)methoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 157217285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).