2-chloro-4-[3-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;methyl 1-[2-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate;methyl 1-[2-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate

C124H124Cl3N7O16S10 — CID 157318941

IUPAC2-chloro-4-[3-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;methyl 1-[2-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate;methyl 1-[2-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate
SMILESC/C(=N\CC(=S)Cc1ccc(C(=O)O)c(Cl)c1)c1csc(-c2ccc3c(c2)CCC3)c1O.C/C(=N\CC(=S)Cc1ccc(C(=O)O)c(Cl)c1)c1csc(-c2ccc3c(c2)CCCC3)c1O.C/C(=N\CC(=S)Cc1ccc(C(=O)O)c(Cl)c1)c1csc(-c2ccc3c(c2)CCO3)c1O.COC(=O)C1CCN(C(=S)C/N=C(\C)c2csc(-c3ccc4c(c3)CCC4)c2O)CC1.COC(=O)C1CCN(C(=S)C/N=C(\C)c2csc(-c3ccc4c(c3)CCCC4)c2O)CC1
InChIInChI=1S/C26H24ClNO3S2.C25H22ClNO3S2.C25H30N2O3S2.C24H20ClNO4S2.C24H28N2O3S2/c1-15(28-13-20(32)10-16-6-9-21(26(30)31)23(27)11-16)22-14-33-25(24(22)29)19-8-7-17-4-2-3-5-18(17)12-19;1-14(27-12-19(31)9-15-5-8-20(25(29)30)22(26)10-15)21-13-32-24(23(21)28)18-7-6-16-3-2-4-17(16)11-18;1-16(26-14-22(31)27-11-9-18(10-12-27)25(29)30-2)21-15-32-24(23(21)28)20-8-7-17-5-3-4-6-19(17)13-20;1-13(26-11-17(31)8-14-2-4-18(24(28)29)20(25)9-14)19-12-32-23(22(19)27)16-3-5-21-15(10-16)6-7-30-21;1-15(25-13-21(30)26-10-8-17(9-11-26)24(28)29-2)20-14-31-23(22(20)27)19-7-6-16-4-3-5-18(16)12-19/h6-9,11-12,14,29H,2-5,10,13H2,1H3,(H,30,31);5-8,10-11,13,28H,2-4,9,12H2,1H3,(H,29,30);7-8,13,15,18,28H,3-6,9-12,14H2,1-2H3;2-5,9-10,12,27H,6-8,11H2,1H3,(H,28,29);6-7,12,14,17,27H,3-5,8-11,13H2,1-2H3/b28-15+;27-14+;26-16+;26-13+;25-15+
InChIKeyBDXZOWXYBNULEX-VPZYGUQHSA-N
MW2395.42 g/mol
LogP28.64
Rot. Bonds31

About 2-chloro-4-[3-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;methyl 1-[2-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate;methyl 1-[2-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate

2-chloro-4-[3-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;methyl 1-[2-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate;methyl 1-[2-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate (PubChem CID 157318941) has the molecular formula C124H124Cl3N7O16S10 and a molecular weight of 2395.42 g/mol. Its IUPAC name is 2-chloro-4-[3-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;methyl 1-[2-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate;methyl 1-[2-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate.

Molecular Properties

Compound Name2-chloro-4-[3-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;methyl 1-[2-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate;methyl 1-[2-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate
PubChem CID157318941
Molecular FormulaC124H124Cl3N7O16S10
Molecular Weight2395.42 g/mol
Exact Mass2391.54
IUPAC Name2-chloro-4-[3-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;methyl 1-[2-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate;methyl 1-[2-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate
SMILESC/C(=N\CC(=S)Cc1ccc(C(=O)O)c(Cl)c1)c1csc(-c2ccc3c(c2)CCC3)c1O.C/C(=N\CC(=S)Cc1ccc(C(=O)O)c(Cl)c1)c1csc(-c2ccc3c(c2)CCCC3)c1O.C/C(=N\CC(=S)Cc1ccc(C(=O)O)c(Cl)c1)c1csc(-c2ccc3c(c2)CCO3)c1O.COC(=O)C1CCN(C(=S)C/N=C(\C)c2csc(-c3ccc4c(c3)CCC4)c2O)CC1.COC(=O)C1CCN(C(=S)C/N=C(\C)c2csc(-c3ccc4c(c3)CCCC4)c2O)CC1
InChIInChI=1S/C26H24ClNO3S2.C25H22ClNO3S2.C25H30N2O3S2.C24H20ClNO4S2.C24H28N2O3S2/c1-15(28-13-20(32)10-16-6-9-21(26(30)31)23(27)11-16)22-14-33-25(24(22)29)19-8-7-17-4-2-3-5-18(17)12-19;1-14(27-12-19(31)9-15-5-8-20(25(29)30)22(26)10-15)21-13-32-24(23(21)28)18-7-6-16-3-2-4-17(16)11-18;1-16(26-14-22(31)27-11-9-18(10-12-27)25(29)30-2)21-15-32-24(23(21)28)20-8-7-17-5-3-4-6-19(17)13-20;1-13(26-11-17(31)8-14-2-4-18(24(28)29)20(25)9-14)19-12-32-23(22(19)27)16-3-5-21-15(10-16)6-7-30-21;1-15(25-13-21(30)26-10-8-17(9-11-26)24(28)29-2)20-14-31-23(22(20)27)19-7-6-16-4-3-5-18(16)12-19/h6-9,11-12,14,29H,2-5,10,13H2,1H3,(H,30,31);5-8,10-11,13,28H,2-4,9,12H2,1H3,(H,29,30);7-8,13,15,18,28H,3-6,9-12,14H2,1-2H3;2-5,9-10,12,27H,6-8,11H2,1H3,(H,28,29);6-7,12,14,17,27H,3-5,8-11,13H2,1-2H3/b28-15+;27-14+;26-16+;26-13+;25-15+
InChIKeyBDXZOWXYBNULEX-VPZYGUQHSA-N
XLogP28.64
TPSA343.16 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds31
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002395.42
LogP ≤ 528.64
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-chloro-4-[3-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;methyl 1-[2-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate;methyl 1-[2-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate 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

methyl 1-[[(E)-1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]carbamothioyl]piperidine-4-carboxylate
CID 88864056
2-(2,3-dihydro-1-benzofuran-5-yl)-4-ethanehydrazonoylthiophen-3-ol;1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethanone;2-(2,3-dihydro-1H-inden-5-yl)-4-ethanehydrazonoylthiophen-3-ol
CID 172982867
methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733683
2-chloro-4-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]benzoic acid
CID 154785586
2-chloro-5-(3,4-dihydro-2H-chromen-6-yl)benzoic acid
CID 61026274
1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide
CID 110796341
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 110801124
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974471
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 110801709
methyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidine-3-carboxylate
CID 78966837
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
1-[[(E)-1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-1-methylpyrazol-3-yl]ethylideneamino]carbamothioyl]piperidine-4-carboxylic acid
CID 173464946

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;methyl 1-[2-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate;methyl 1-[2-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate?
The IUPAC name of 2-chloro-4-[3-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;methyl 1-[2-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate;methyl 1-[2-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate (CID 157318941) is 2-chloro-4-[3-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;methyl 1-[2-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate;methyl 1-[2-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate.
What is the SMILES notation for 2-chloro-4-[3-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;methyl 1-[2-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate;methyl 1-[2-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate?
The canonical SMILES for 2-chloro-4-[3-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;methyl 1-[2-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate;methyl 1-[2-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate is C/C(=N\CC(=S)Cc1ccc(C(=O)O)c(Cl)c1)c1csc(-c2ccc3c(c2)CCC3)c1O.C/C(=N\CC(=S)Cc1ccc(C(=O)O)c(Cl)c1)c1csc(-c2ccc3c(c2)CCCC3)c1O.C/C(=N\CC(=S)Cc1ccc(C(=O)O)c(Cl)c1)c1csc(-c2ccc3c(c2)CCO3)c1O.COC(=O)C1CCN(C(=S)C/N=C(\C)c2csc(-c3ccc4c(c3)CCC4)c2O)CC1.COC(=O)C1CCN(C(=S)C/N=C(\C)c2csc(-c3ccc4c(c3)CCCC4)c2O)CC1.
What is the InChIKey of 2-chloro-4-[3-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;methyl 1-[2-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate;methyl 1-[2-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate?
The InChIKey is BDXZOWXYBNULEX-VPZYGUQHSA-N. The full InChI is InChI=1S/C26H24ClNO3S2.C25H22ClNO3S2.C25H30N2O3S2.C24H20ClNO4S2.C24H28N2O3S2/c1-15(28-13-20(32)10-16-6-9-21(26(30)31)23(27)11-16)22-14-33-25(24(22)29)19-8-7-17-4-2-3-5-18(17)12-19;1-14(27-12-19(31)9-15-5-8-20(25(29)30)22(26)10-15)21-13-32-24(23(21)28)18-7-6-16-3-2-4-17(16)11-18;1-16(26-14-22(31)27-11-9-18(10-12-27)25(29)30-2)21-15-32-24(23(21)28)20-8-7-17-5-3-4-6-19(17)13-20;1-13(26-11-17(31)8-14-2-4-18(24(28)29)20(25)9-14)19-12-32-23(22(19)27)16-3-5-21-15(10-16)6-7-30-21;1-15(25-13-21(30)26-10-8-17(9-11-26)24(28)29-2)20-14-31-23(22(20)27)19-7-6-16-4-3-5-18(16)12-19/h6-9,11-12,14,29H,2-5,10,13H2,1H3,(H,30,31);5-8,10-11,13,28H,2-4,9,12H2,1H3,(H,29,30);7-8,13,15,18,28H,3-6,9-12,14H2,1-2H3;2-5,9-10,12,27H,6-8,11H2,1H3,(H,28,29);6-7,12,14,17,27H,3-5,8-11,13H2,1-2H3/b28-15+;27-14+;26-16+;26-13+;25-15+.
What are the key properties of 2-chloro-4-[3-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;methyl 1-[2-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate;methyl 1-[2-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate?
2-chloro-4-[3-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;methyl 1-[2-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate;methyl 1-[2-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate has a molecular weight of 2395.42 g/mol, XLogP of 28.64, 31 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-[1-[5-(2,3-dihydro-1-benzofuran-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;2-chloro-4-[3-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]-2-sulfanylidenepropyl]benzoic acid;methyl 1-[2-[1-[5-(2,3-dihydro-1H-inden-5-yl)-4-hydroxythiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate;methyl 1-[2-[1-[4-hydroxy-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-3-yl]ethylideneamino]ethanethioyl]piperidine-4-carboxylate is sourced from PubChem (CID 157318941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).