1-[6-[(1-aminocyclopropyl)methoxy]-3-pyridinyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3R,4R)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one

C134H135FN20O21S6 — CID 161054300

IUPAC1-[6-[(1-aminocyclopropyl)methoxy]-3-pyridinyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3R,4R)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILES[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCC4(N)CC4)nc3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCCO)cc3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OC[C@@H](O)CO)cc3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(O[C@@H]4COC[C@H]4O)cc3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(O[C@H]4COC[C@@H]4O)c(F)c3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(O[C@H]4COC[C@@H]4O)cc3)C2=S)cc1C
InChIInChI=1S/C23H22FN3O4S.2C23H23N3O4S.C22H23N5O2S.C22H23N3O4S.C21H21N3O3S/c1-13-9-14(5-7-17(13)25-4)26-21(29)23(2,3)27(22(26)32)15-6-8-19(16(24)10-15)31-20-12-30-11-18(20)28;2*1-14-11-16(7-10-18(14)24-4)25-21(28)23(2,3)26(22(25)31)15-5-8-17(9-6-15)30-20-13-29-12-19(20)27;1-14-11-15(5-7-17(14)24-4)26-19(28)21(2,3)27(20(26)30)16-6-8-18(25-12-16)29-13-22(23)9-10-22;1-14-11-16(7-10-19(14)23-4)24-20(28)22(2,3)25(21(24)30)15-5-8-18(9-6-15)29-13-17(27)12-26;1-14-13-16(7-10-18(14)22-4)23-19(26)21(2,3)24(20(23)28)15-5-8-17(9-6-15)27-12-11-25/h5-10,18,20,28H,11-12H2,1-3H3;2*5-11,19-20,27H,12-13H2,1-3H3;5-8,11-12H,9-10,13,23H2,1-3H3;5-11,17,26-27H,12-13H2,1-3H3;5-10,13,25H,11-12H2,1-3H3/t18-,20-;2*19-,20-;;17-;/m010.0./s1
InChIKeyUCNRNUNGHLYSID-AYGBVMHTSA-N
MW2573.07 g/mol
LogP21.70
Rot. Bonds28

About 1-[6-[(1-aminocyclopropyl)methoxy]-3-pyridinyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3R,4R)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one

1-[6-[(1-aminocyclopropyl)methoxy]-3-pyridinyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3R,4R)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 161054300) has the molecular formula C134H135FN20O21S6 and a molecular weight of 2573.07 g/mol. Its IUPAC name is 1-[6-[(1-aminocyclopropyl)methoxy]-3-pyridinyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3R,4R)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-[6-[(1-aminocyclopropyl)methoxy]-3-pyridinyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3R,4R)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
PubChem CID161054300
Molecular FormulaC134H135FN20O21S6
Molecular Weight2573.07 g/mol
Exact Mass2570.84
IUPAC Name1-[6-[(1-aminocyclopropyl)methoxy]-3-pyridinyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3R,4R)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILES[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCC4(N)CC4)nc3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCCO)cc3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OC[C@@H](O)CO)cc3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(O[C@@H]4COC[C@H]4O)cc3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(O[C@H]4COC[C@@H]4O)c(F)c3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(O[C@H]4COC[C@@H]4O)cc3)C2=S)cc1C
InChIInChI=1S/C23H22FN3O4S.2C23H23N3O4S.C22H23N5O2S.C22H23N3O4S.C21H21N3O3S/c1-13-9-14(5-7-17(13)25-4)26-21(29)23(2,3)27(22(26)32)15-6-8-19(16(24)10-15)31-20-12-30-11-18(20)28;2*1-14-11-16(7-10-18(14)24-4)25-21(28)23(2,3)26(22(25)31)15-5-8-17(9-6-15)30-20-13-29-12-19(20)27;1-14-11-15(5-7-17(14)24-4)26-19(28)21(2,3)27(20(26)30)16-6-8-18(25-12-16)29-13-22(23)9-10-22;1-14-11-16(7-10-19(14)23-4)24-20(28)22(2,3)25(21(24)30)15-5-8-18(9-6-15)29-13-17(27)12-26;1-14-13-16(7-10-18(14)22-4)23-19(26)21(2,3)24(20(23)28)15-5-8-17(9-6-15)27-12-11-25/h5-10,18,20,28H,11-12H2,1-3H3;2*5-11,19-20,27H,12-13H2,1-3H3;5-8,11-12H,9-10,13,23H2,1-3H3;5-11,17,26-27H,12-13H2,1-3H3;5-10,13,25H,11-12H2,1-3H3/t18-,20-;2*19-,20-;;17-;/m010.0./s1
InChIKeyUCNRNUNGHLYSID-AYGBVMHTSA-N
XLogP21.70
TPSA410.82 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms182
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002573.07
LogP ≤ 521.70
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 1-[6-[(1-aminocyclopropyl)methoxy]-3-pyridinyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3R,4R)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1-aminocyclopropyl)methoxy]-3-pyridinyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3R,4R)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-[6-[(1-aminocyclopropyl)methoxy]-3-pyridinyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3R,4R)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one (CID 161054300) is 1-[6-[(1-aminocyclopropyl)methoxy]-3-pyridinyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3R,4R)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-[6-[(1-aminocyclopropyl)methoxy]-3-pyridinyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3R,4R)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-[6-[(1-aminocyclopropyl)methoxy]-3-pyridinyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3R,4R)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one is [C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCC4(N)CC4)nc3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OCCO)cc3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(OC[C@@H](O)CO)cc3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(O[C@@H]4COC[C@H]4O)cc3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(O[C@H]4COC[C@@H]4O)c(F)c3)C2=S)cc1C.[C-]#[N+]c1ccc(N2C(=O)C(C)(C)N(c3ccc(O[C@H]4COC[C@@H]4O)cc3)C2=S)cc1C.
What is the InChIKey of 1-[6-[(1-aminocyclopropyl)methoxy]-3-pyridinyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3R,4R)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is UCNRNUNGHLYSID-AYGBVMHTSA-N. The full InChI is InChI=1S/C23H22FN3O4S.2C23H23N3O4S.C22H23N5O2S.C22H23N3O4S.C21H21N3O3S/c1-13-9-14(5-7-17(13)25-4)26-21(29)23(2,3)27(22(26)32)15-6-8-19(16(24)10-15)31-20-12-30-11-18(20)28;2*1-14-11-16(7-10-18(14)24-4)25-21(28)23(2,3)26(22(25)31)15-5-8-17(9-6-15)30-20-13-29-12-19(20)27;1-14-11-15(5-7-17(14)24-4)26-19(28)21(2,3)27(20(26)30)16-6-8-18(25-12-16)29-13-22(23)9-10-22;1-14-11-16(7-10-19(14)23-4)24-20(28)22(2,3)25(21(24)30)15-5-8-18(9-6-15)29-13-17(27)12-26;1-14-13-16(7-10-18(14)22-4)23-19(26)21(2,3)24(20(23)28)15-5-8-17(9-6-15)27-12-11-25/h5-10,18,20,28H,11-12H2,1-3H3;2*5-11,19-20,27H,12-13H2,1-3H3;5-8,11-12H,9-10,13,23H2,1-3H3;5-11,17,26-27H,12-13H2,1-3H3;5-10,13,25H,11-12H2,1-3H3/t18-,20-;2*19-,20-;;17-;/m010.0./s1.
What are the key properties of 1-[6-[(1-aminocyclopropyl)methoxy]-3-pyridinyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3R,4R)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one?
1-[6-[(1-aminocyclopropyl)methoxy]-3-pyridinyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3R,4R)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 2573.07 g/mol, XLogP of 21.70, 28 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1-aminocyclopropyl)methoxy]-3-pyridinyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[3-fluoro-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-(2-hydroxyethoxy)phenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one;1-[4-[(3R,4R)-4-hydroxyoxolan-3-yl]oxyphenyl]-3-(4-isocyano-3-methylphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 161054300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).