3-[1-(2-ethoxy-2-oxoethyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid;N-[2-[4-(2-fluorophenyl)-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide;(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide;3-[5-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]propanoic acid;3-[5-(4-methylphenyl)-1-(2-phenylethyl)pyrrol-2-yl]propanoic acid;N-[3-(morpholine-4-carbonyl)phenyl]-2-naphthalen-1-ylacetamide

C147H152F4N14O19S — CID 160592238

IUPAC3-[1-(2-ethoxy-2-oxoethyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid;N-[2-[4-(2-fluorophenyl)-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide;(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide;3-[5-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]propanoic acid;3-[5-(4-methylphenyl)-1-(2-phenylethyl)pyrrol-2-yl]propanoic acid;N-[3-(morpholine-4-carbonyl)phenyl]-2-naphthalen-1-ylacetamide
SMILESCCOC(=O)Cn1c(CCC(=O)O)ccc1-c1ccc(C)cc1.Cc1ccc(-c2ccc(CCC(=O)O)n2CCc2ccccc2)cc1.Cc1ccc(-c2ccc(CCC(=O)O)n2C[C@@H]2CCCO2)cc1.Cc1ccc2c(c1)N(CCCC(=O)Nc1ccccc1C(F)(F)F)C(=O)CO2.O=C(Cc1cccc2ccccc12)Nc1cccc(C(=O)N2CCOCC2)c1.O=C(NCCc1nnc(SC[C@@H]2CCCO2)n1-c1ccccc1F)c1cccc2ccccc12.OCc1nc2ccccc2n1C[C@H](O)Cn1ccc2ccccc21
InChIInChI=1S/C26H25FN4O2S.C23H22N2O3.C22H23NO2.C20H19F3N2O3.C19H19N3O2.C19H23NO3.C18H21NO4/c27-22-12-3-4-13-23(22)31-24(29-30-26(31)34-17-19-9-6-16-33-19)14-15-28-25(32)21-11-5-8-18-7-1-2-10-20(18)21;26-22(16-18-7-3-6-17-5-1-2-10-21(17)18)24-20-9-4-8-19(15-20)23(27)25-11-13-28-14-12-25;1-17-7-9-19(10-8-17)21-13-11-20(12-14-22(24)25)23(21)16-15-18-5-3-2-4-6-18;1-13-8-9-17-16(11-13)25(19(27)12-28-17)10-4-7-18(26)24-15-6-3-2-5-14(15)20(21,22)23;23-13-19-20-16-6-2-4-8-18(16)22(19)12-15(24)11-21-10-9-14-5-1-3-7-17(14)21;1-14-4-6-15(7-5-14)18-10-8-16(9-11-19(21)22)20(18)13-17-3-2-12-23-17;1-3-23-18(22)12-19-15(9-11-17(20)21)8-10-16(19)14-6-4-13(2)5-7-14/h1-5,7-8,10-13,19H,6,9,14-17H2,(H,28,32);1-10,15H,11-14,16H2,(H,24,26);2-11,13H,12,14-16H2,1H3,(H,24,25);2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,24,26);1-10,15,23-24H,11-13H2;4-8,10,17H,2-3,9,11-13H2,1H3,(H,21,22);4-8,10H,3,9,11-12H2,1-2H3,(H,20,21)/t19-;;;;15-;17-;/m0...10./s1
InChIKeyRDEJBZQHIDRICE-ODJQESACSA-N
MW2526.97 g/mol
LogP26.43
Rot. Bonds42

About 3-[1-(2-ethoxy-2-oxoethyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid;N-[2-[4-(2-fluorophenyl)-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide;(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide;3-[5-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]propanoic acid;3-[5-(4-methylphenyl)-1-(2-phenylethyl)pyrrol-2-yl]propanoic acid;N-[3-(morpholine-4-carbonyl)phenyl]-2-naphthalen-1-ylacetamide

3-[1-(2-ethoxy-2-oxoethyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid;N-[2-[4-(2-fluorophenyl)-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide;(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide;3-[5-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]propanoic acid;3-[5-(4-methylphenyl)-1-(2-phenylethyl)pyrrol-2-yl]propanoic acid;N-[3-(morpholine-4-carbonyl)phenyl]-2-naphthalen-1-ylacetamide (PubChem CID 160592238) has the molecular formula C147H152F4N14O19S and a molecular weight of 2526.97 g/mol. Its IUPAC name is 3-[1-(2-ethoxy-2-oxoethyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid;N-[2-[4-(2-fluorophenyl)-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide;(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide;3-[5-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]propanoic acid;3-[5-(4-methylphenyl)-1-(2-phenylethyl)pyrrol-2-yl]propanoic acid;N-[3-(morpholine-4-carbonyl)phenyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name3-[1-(2-ethoxy-2-oxoethyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid;N-[2-[4-(2-fluorophenyl)-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide;(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide;3-[5-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]propanoic acid;3-[5-(4-methylphenyl)-1-(2-phenylethyl)pyrrol-2-yl]propanoic acid;N-[3-(morpholine-4-carbonyl)phenyl]-2-naphthalen-1-ylacetamide
PubChem CID160592238
Molecular FormulaC147H152F4N14O19S
Molecular Weight2526.97 g/mol
Exact Mass2525.10
IUPAC Name3-[1-(2-ethoxy-2-oxoethyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid;N-[2-[4-(2-fluorophenyl)-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide;(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide;3-[5-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]propanoic acid;3-[5-(4-methylphenyl)-1-(2-phenylethyl)pyrrol-2-yl]propanoic acid;N-[3-(morpholine-4-carbonyl)phenyl]-2-naphthalen-1-ylacetamide
SMILESCCOC(=O)Cn1c(CCC(=O)O)ccc1-c1ccc(C)cc1.Cc1ccc(-c2ccc(CCC(=O)O)n2CCc2ccccc2)cc1.Cc1ccc(-c2ccc(CCC(=O)O)n2C[C@@H]2CCCO2)cc1.Cc1ccc2c(c1)N(CCCC(=O)Nc1ccccc1C(F)(F)F)C(=O)CO2.O=C(Cc1cccc2ccccc12)Nc1cccc(C(=O)N2CCOCC2)c1.O=C(NCCc1nnc(SC[C@@H]2CCCO2)n1-c1ccccc1F)c1cccc2ccccc12.OCc1nc2ccccc2n1C[C@H](O)Cn1ccc2ccccc21
InChIInChI=1S/C26H25FN4O2S.C23H22N2O3.C22H23NO2.C20H19F3N2O3.C19H19N3O2.C19H23NO3.C18H21NO4/c27-22-12-3-4-13-23(22)31-24(29-30-26(31)34-17-19-9-6-16-33-19)14-15-28-25(32)21-11-5-8-18-7-1-2-10-20(18)21;26-22(16-18-7-3-6-17-5-1-2-10-21(17)18)24-20-9-4-8-19(15-20)23(27)25-11-13-28-14-12-25;1-17-7-9-19(10-8-17)21-13-11-20(12-14-22(24)25)23(21)16-15-18-5-3-2-4-6-18;1-13-8-9-17-16(11-13)25(19(27)12-28-17)10-4-7-18(26)24-15-6-3-2-5-14(15)20(21,22)23;23-13-19-20-16-6-2-4-8-18(16)22(19)12-15(24)11-21-10-9-14-5-1-3-7-17(14)21;1-14-4-6-15(7-5-14)18-10-8-16(9-11-19(21)22)20(18)13-17-3-2-12-23-17;1-3-23-18(22)12-19-15(9-11-17(20)21)8-10-16(19)14-6-4-13(2)5-7-14/h1-5,7-8,10-13,19H,6,9,14-17H2,(H,28,32);1-10,15H,11-14,16H2,(H,24,26);2-11,13H,12,14-16H2,1H3,(H,24,25);2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,24,26);1-10,15,23-24H,11-13H2;4-8,10,17H,2-3,9,11-13H2,1H3,(H,21,22);4-8,10H,3,9,11-12H2,1-2H3,(H,20,21)/t19-;;;;15-;17-;/m0...10./s1
InChIKeyRDEJBZQHIDRICE-ODJQESACSA-N
XLogP26.43
TPSA411.75 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds42
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002526.97
LogP ≤ 526.43
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

Analyze 3-[1-(2-ethoxy-2-oxoethyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid;N-[2-[4-(2-fluorophenyl)-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide;(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide;3-[5-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]propanoic acid;3-[5-(4-methylphenyl)-1-(2-phenylethyl)pyrrol-2-yl]propanoic acid;N-[3-(morpholine-4-carbonyl)phenyl]-2-naphthalen-1-ylacetamide with MolForge

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Related Compounds

4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 20887616
N-[2-[4-(2-fluorophenyl)-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-5-methylthiophene-2-carboxamide
CID 26397062
N-[2-[4-(2-fluorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide
CID 42481558
2-[[4-benzyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid;4-[5-(4-fluorophenyl)-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]butan-2-one;4-[5-(4-fluorophenyl)-1-(2-phenylethyl)pyrrol-2-yl]butan-2-one;2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]sulfanylacetic acid;2-[[5-(naphthalen-1-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 157102804
N-[2-[4-(2-fluorophenyl)-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide
CID 45207271
N-[2-[4-(2-fluorophenyl)-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 45188768
N-[2-[2-(hydroxymethyl)benzimidazol-1-yl]ethyl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 110204706
N-[[4-(2,5-dimethylphenyl)-5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide
CID 44912613
ethyl 2-[[2-[2,4-dioxo-3-[[(2R)-oxolan-2-yl]methyl]-7-(2-phenylethylcarbamoyl)quinazolin-1-yl]acetyl]amino]benzoate
CID 98209738
N-(3,4-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7031260
N-[3-(morpholine-4-carbonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55748980
2-[[5-(4-chlorophenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3532815

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-ethoxy-2-oxoethyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid;N-[2-[4-(2-fluorophenyl)-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide;(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide;3-[5-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]propanoic acid;3-[5-(4-methylphenyl)-1-(2-phenylethyl)pyrrol-2-yl]propanoic acid;N-[3-(morpholine-4-carbonyl)phenyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of 3-[1-(2-ethoxy-2-oxoethyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid;N-[2-[4-(2-fluorophenyl)-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide;(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide;3-[5-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]propanoic acid;3-[5-(4-methylphenyl)-1-(2-phenylethyl)pyrrol-2-yl]propanoic acid;N-[3-(morpholine-4-carbonyl)phenyl]-2-naphthalen-1-ylacetamide (CID 160592238) is 3-[1-(2-ethoxy-2-oxoethyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid;N-[2-[4-(2-fluorophenyl)-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide;(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide;3-[5-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]propanoic acid;3-[5-(4-methylphenyl)-1-(2-phenylethyl)pyrrol-2-yl]propanoic acid;N-[3-(morpholine-4-carbonyl)phenyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for 3-[1-(2-ethoxy-2-oxoethyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid;N-[2-[4-(2-fluorophenyl)-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide;(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide;3-[5-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]propanoic acid;3-[5-(4-methylphenyl)-1-(2-phenylethyl)pyrrol-2-yl]propanoic acid;N-[3-(morpholine-4-carbonyl)phenyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for 3-[1-(2-ethoxy-2-oxoethyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid;N-[2-[4-(2-fluorophenyl)-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide;(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide;3-[5-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]propanoic acid;3-[5-(4-methylphenyl)-1-(2-phenylethyl)pyrrol-2-yl]propanoic acid;N-[3-(morpholine-4-carbonyl)phenyl]-2-naphthalen-1-ylacetamide is CCOC(=O)Cn1c(CCC(=O)O)ccc1-c1ccc(C)cc1.Cc1ccc(-c2ccc(CCC(=O)O)n2CCc2ccccc2)cc1.Cc1ccc(-c2ccc(CCC(=O)O)n2C[C@@H]2CCCO2)cc1.Cc1ccc2c(c1)N(CCCC(=O)Nc1ccccc1C(F)(F)F)C(=O)CO2.O=C(Cc1cccc2ccccc12)Nc1cccc(C(=O)N2CCOCC2)c1.O=C(NCCc1nnc(SC[C@@H]2CCCO2)n1-c1ccccc1F)c1cccc2ccccc12.OCc1nc2ccccc2n1C[C@H](O)Cn1ccc2ccccc21.
What is the InChIKey of 3-[1-(2-ethoxy-2-oxoethyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid;N-[2-[4-(2-fluorophenyl)-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide;(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide;3-[5-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]propanoic acid;3-[5-(4-methylphenyl)-1-(2-phenylethyl)pyrrol-2-yl]propanoic acid;N-[3-(morpholine-4-carbonyl)phenyl]-2-naphthalen-1-ylacetamide?
The InChIKey is RDEJBZQHIDRICE-ODJQESACSA-N. The full InChI is InChI=1S/C26H25FN4O2S.C23H22N2O3.C22H23NO2.C20H19F3N2O3.C19H19N3O2.C19H23NO3.C18H21NO4/c27-22-12-3-4-13-23(22)31-24(29-30-26(31)34-17-19-9-6-16-33-19)14-15-28-25(32)21-11-5-8-18-7-1-2-10-20(18)21;26-22(16-18-7-3-6-17-5-1-2-10-21(17)18)24-20-9-4-8-19(15-20)23(27)25-11-13-28-14-12-25;1-17-7-9-19(10-8-17)21-13-11-20(12-14-22(24)25)23(21)16-15-18-5-3-2-4-6-18;1-13-8-9-17-16(11-13)25(19(27)12-28-17)10-4-7-18(26)24-15-6-3-2-5-14(15)20(21,22)23;23-13-19-20-16-6-2-4-8-18(16)22(19)12-15(24)11-21-10-9-14-5-1-3-7-17(14)21;1-14-4-6-15(7-5-14)18-10-8-16(9-11-19(21)22)20(18)13-17-3-2-12-23-17;1-3-23-18(22)12-19-15(9-11-17(20)21)8-10-16(19)14-6-4-13(2)5-7-14/h1-5,7-8,10-13,19H,6,9,14-17H2,(H,28,32);1-10,15H,11-14,16H2,(H,24,26);2-11,13H,12,14-16H2,1H3,(H,24,25);2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,24,26);1-10,15,23-24H,11-13H2;4-8,10,17H,2-3,9,11-13H2,1H3,(H,21,22);4-8,10H,3,9,11-12H2,1-2H3,(H,20,21)/t19-;;;;15-;17-;/m0...10./s1.
What are the key properties of 3-[1-(2-ethoxy-2-oxoethyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid;N-[2-[4-(2-fluorophenyl)-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide;(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide;3-[5-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]propanoic acid;3-[5-(4-methylphenyl)-1-(2-phenylethyl)pyrrol-2-yl]propanoic acid;N-[3-(morpholine-4-carbonyl)phenyl]-2-naphthalen-1-ylacetamide?
3-[1-(2-ethoxy-2-oxoethyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid;N-[2-[4-(2-fluorophenyl)-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide;(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide;3-[5-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]propanoic acid;3-[5-(4-methylphenyl)-1-(2-phenylethyl)pyrrol-2-yl]propanoic acid;N-[3-(morpholine-4-carbonyl)phenyl]-2-naphthalen-1-ylacetamide has a molecular weight of 2526.97 g/mol, XLogP of 26.43, 42 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-ethoxy-2-oxoethyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid;N-[2-[4-(2-fluorophenyl)-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide;(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol;4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide;3-[5-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-2-yl]propanoic acid;3-[5-(4-methylphenyl)-1-(2-phenylethyl)pyrrol-2-yl]propanoic acid;N-[3-(morpholine-4-carbonyl)phenyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 160592238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).