2-amino-3-(4-bromophenyl)propanoic acid;tert-butyl 4-[3-[2-(2-aminophenyl)acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl 2-amino-3-(4-bromophenyl)propanoate;ethyl 7-bromoisoquinoline-3-carboxylate;ethyl 3-(4-bromophenyl)-2-formamidopropanoate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid;thionyl dichloride

C119H146Br4Cl2N16O23S — CID 160814047

IUPAC2-amino-3-(4-bromophenyl)propanoic acid;tert-butyl 4-[3-[2-(2-aminophenyl)acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl 2-amino-3-(4-bromophenyl)propanoate;ethyl 7-bromoisoquinoline-3-carboxylate;ethyl 3-(4-bromophenyl)-2-formamidopropanoate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid;thionyl dichloride
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc3cc(C(=O)Cc4ccccc4N)ncc3c2)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc3cc(C(=O)O)ncc3c2)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCOC(=O)C(Cc1ccc(Br)cc1)NC=O.CCOC(=O)C(N)Cc1ccc(Br)cc1.CCOC(=O)c1cc2ccc(Br)cc2cn1.CCOC(=O)c1cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2cn1.NC(Cc1ccc(Br)cc1)C(=O)O.O=S(Cl)Cl
InChIInChI=1S/C26H30N4O3.C21H27N3O4.C19H23N3O4.C12H14BrNO3.C12H10BrNO2.C11H14BrNO2.C9H10BrNO2.C9H18N2O2.Cl2OS/c1-26(2,3)33-25(32)30-12-10-29(11-13-30)21-9-8-18-15-23(28-17-20(18)14-21)24(31)16-19-6-4-5-7-22(19)27;1-5-27-19(25)18-13-15-6-7-17(12-16(15)14-22-18)23-8-10-24(11-9-23)20(26)28-21(2,3)4;1-19(2,3)26-18(25)22-8-6-21(7-9-22)15-5-4-13-11-16(17(23)24)20-12-14(13)10-15;1-2-17-12(16)11(14-8-15)7-9-3-5-10(13)6-4-9;1-2-16-12(15)11-6-8-3-4-10(13)5-9(8)7-14-11;1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8;10-7-3-1-6(2-4-7)5-8(11)9(12)13;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-4(2)3/h4-9,14-15,17H,10-13,16,27H2,1-3H3;6-7,12-14H,5,8-11H2,1-4H3;4-5,10-12H,6-9H2,1-3H3,(H,23,24);3-6,8,11H,2,7H2,1H3,(H,14,15);3-7H,2H2,1H3;3-6,10H,2,7,13H2,1H3;1-4,8H,5,11H2,(H,12,13);10H,4-7H2,1-3H3;
InChIKeySERBYKKYHVHSPH-UHFFFAOYSA-N
MW2591.15 g/mol
LogP20.76
Rot. Bonds24

About 2-amino-3-(4-bromophenyl)propanoic acid;tert-butyl 4-[3-[2-(2-aminophenyl)acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl 2-amino-3-(4-bromophenyl)propanoate;ethyl 7-bromoisoquinoline-3-carboxylate;ethyl 3-(4-bromophenyl)-2-formamidopropanoate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid;thionyl dichloride

2-amino-3-(4-bromophenyl)propanoic acid;tert-butyl 4-[3-[2-(2-aminophenyl)acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl 2-amino-3-(4-bromophenyl)propanoate;ethyl 7-bromoisoquinoline-3-carboxylate;ethyl 3-(4-bromophenyl)-2-formamidopropanoate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid;thionyl dichloride (PubChem CID 160814047) has the molecular formula C119H146Br4Cl2N16O23S and a molecular weight of 2591.15 g/mol. Its IUPAC name is 2-amino-3-(4-bromophenyl)propanoic acid;tert-butyl 4-[3-[2-(2-aminophenyl)acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl 2-amino-3-(4-bromophenyl)propanoate;ethyl 7-bromoisoquinoline-3-carboxylate;ethyl 3-(4-bromophenyl)-2-formamidopropanoate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid;thionyl dichloride.

Molecular Properties

Compound Name2-amino-3-(4-bromophenyl)propanoic acid;tert-butyl 4-[3-[2-(2-aminophenyl)acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl 2-amino-3-(4-bromophenyl)propanoate;ethyl 7-bromoisoquinoline-3-carboxylate;ethyl 3-(4-bromophenyl)-2-formamidopropanoate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid;thionyl dichloride
PubChem CID160814047
Molecular FormulaC119H146Br4Cl2N16O23S
Molecular Weight2591.15 g/mol
Exact Mass2584.66
IUPAC Name2-amino-3-(4-bromophenyl)propanoic acid;tert-butyl 4-[3-[2-(2-aminophenyl)acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl 2-amino-3-(4-bromophenyl)propanoate;ethyl 7-bromoisoquinoline-3-carboxylate;ethyl 3-(4-bromophenyl)-2-formamidopropanoate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid;thionyl dichloride
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc3cc(C(=O)Cc4ccccc4N)ncc3c2)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc3cc(C(=O)O)ncc3c2)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCOC(=O)C(Cc1ccc(Br)cc1)NC=O.CCOC(=O)C(N)Cc1ccc(Br)cc1.CCOC(=O)c1cc2ccc(Br)cc2cn1.CCOC(=O)c1cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2cn1.NC(Cc1ccc(Br)cc1)C(=O)O.O=S(Cl)Cl
InChIInChI=1S/C26H30N4O3.C21H27N3O4.C19H23N3O4.C12H14BrNO3.C12H10BrNO2.C11H14BrNO2.C9H10BrNO2.C9H18N2O2.Cl2OS/c1-26(2,3)33-25(32)30-12-10-29(11-13-30)21-9-8-18-15-23(28-17-20(18)14-21)24(31)16-19-6-4-5-7-22(19)27;1-5-27-19(25)18-13-15-6-7-17(12-16(15)14-22-18)23-8-10-24(11-9-23)20(26)28-21(2,3)4;1-19(2,3)26-18(25)22-8-6-21(7-9-22)15-5-4-13-11-16(17(23)24)20-12-14(13)10-15;1-2-17-12(16)11(14-8-15)7-9-3-5-10(13)6-4-9;1-2-16-12(15)11-6-8-3-4-10(13)5-9(8)7-14-11;1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8;10-7-3-1-6(2-4-7)5-8(11)9(12)13;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-4(2)3/h4-9,14-15,17H,10-13,16,27H2,1-3H3;6-7,12-14H,5,8-11H2,1-4H3;4-5,10-12H,6-9H2,1-3H3,(H,23,24);3-6,8,11H,2,7H2,1H3,(H,14,15);3-7H,2H2,1H3;3-6,10H,2,7,13H2,1H3;1-4,8H,5,11H2,(H,12,13);10H,4-7H2,1-3H3;
InChIKeySERBYKKYHVHSPH-UHFFFAOYSA-N
XLogP20.76
TPSA512.57 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002591.15
LogP ≤ 520.76
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-3-(4-bromophenyl)propanoic acid;tert-butyl 4-[3-[2-(2-aminophenyl)acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl 2-amino-3-(4-bromophenyl)propanoate;ethyl 7-bromoisoquinoline-3-carboxylate;ethyl 3-(4-bromophenyl)-2-formamidopropanoate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid;thionyl dichloride with MolForge

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Related Compounds

(2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3S)-3-methylmorpholin-4-yl]benzoyl]amino]propanoic acid;2-fluoro-6-methyl-4-[(3S)-3-methylmorpholin-4-yl]benzoic acid;methane;methyl 4-bromo-2-fluoro-6-methylbenzoate;(3S)-3-methylmorpholine
CID 159077678
(2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]-2-[[2-fluoro-6-methyl-4-[(3S)-3-methylmorpholin-4-yl]benzoyl]amino]propanoic acid;2-fluoro-6-methyl-4-[(3S)-3-methylmorpholin-4-yl]benzoic acid;methyl 4-bromo-2-fluoro-6-methylbenzoate;(3S)-3-methylmorpholine
CID 165004019
Sodium;2-(2-aminophenyl)-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;benzene-1,2-diamine;tert-butyl 4-[3-[2-(2-aminophenyl)acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid;hydroxide
CID 157269260
2-(2-Amino-5-phenylphenyl)-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 157473886
4-bromobenzaldehyde;N-[(4-bromophenyl)methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[(4-bromophenyl)methyl]-5-pentyl-N-piperidin-4-ylpyridine-2-carboxamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(4-bromophenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-bromophenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(3-methylphenyl)phenyl]methyl]-5-pentylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]methyl]pyridine-2-carboxamide;(3-methylphenyl)boronic acid;5-pentylpyridine-2-carboxylic acid;1-pyridin-4-ylpiperazine
CID 157680278
2-Amino-3-(4-bromophenyl)propanoic acid;2-(2-aminophenyl)-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;tert-butyl 4-[3-[2-(2-aminophenyl)acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl 2-amino-3-(4-bromophenyl)propanoate;ethyl 7-bromoisoquinoline-3-carboxylate;ethyl 3-(4-bromophenyl)-2-formamidopropanoate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid;thionyl dichloride
CID 158408273
tert-butyl N-(2-amino-4-phenylphenyl)carbamate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid;ethyl 7-bromoisoquinoline-3-carboxylate;ethyl 8-bromo-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate
CID 158521363
2-(2-Aminophenyl)-1-(8-cyclopropyl-7-piperazin-1-ylisoquinolin-3-yl)ethanone;tert-butyl 4-[3-[2-(2-aminophenyl)acetyl]-8-cyclopropylisoquinolin-7-yl]piperazine-1-carboxylate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid
CID 158722593
2-(2-amino-5-phenylphenyl)-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;tert-butyl 4-[3-[2-(2-amino-5-phenylphenyl)acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;tert-butyl N-(2-amino-4-phenylphenyl)carbamate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid
CID 158736077
2-(2-amino-5-phenylphenyl)-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl 4-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid
CID 158897046
2-(2-amino-5-phenylphenyl)-1-(7-piperazin-1-ylisoquinolin-3-yl)ethanone;tert-butyl N-(2-amino-4-phenylphenyl)carbamate;tert-butyl 4-[3-[2-(3-phenylphenyl)acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid
CID 159335018
N-(2-amino-5-phenylphenyl)-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 159541349

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-bromophenyl)propanoic acid;tert-butyl 4-[3-[2-(2-aminophenyl)acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl 2-amino-3-(4-bromophenyl)propanoate;ethyl 7-bromoisoquinoline-3-carboxylate;ethyl 3-(4-bromophenyl)-2-formamidopropanoate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid;thionyl dichloride?
The IUPAC name of 2-amino-3-(4-bromophenyl)propanoic acid;tert-butyl 4-[3-[2-(2-aminophenyl)acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl 2-amino-3-(4-bromophenyl)propanoate;ethyl 7-bromoisoquinoline-3-carboxylate;ethyl 3-(4-bromophenyl)-2-formamidopropanoate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid;thionyl dichloride (CID 160814047) is 2-amino-3-(4-bromophenyl)propanoic acid;tert-butyl 4-[3-[2-(2-aminophenyl)acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl 2-amino-3-(4-bromophenyl)propanoate;ethyl 7-bromoisoquinoline-3-carboxylate;ethyl 3-(4-bromophenyl)-2-formamidopropanoate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid;thionyl dichloride.
What is the SMILES notation for 2-amino-3-(4-bromophenyl)propanoic acid;tert-butyl 4-[3-[2-(2-aminophenyl)acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl 2-amino-3-(4-bromophenyl)propanoate;ethyl 7-bromoisoquinoline-3-carboxylate;ethyl 3-(4-bromophenyl)-2-formamidopropanoate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid;thionyl dichloride?
The canonical SMILES for 2-amino-3-(4-bromophenyl)propanoic acid;tert-butyl 4-[3-[2-(2-aminophenyl)acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl 2-amino-3-(4-bromophenyl)propanoate;ethyl 7-bromoisoquinoline-3-carboxylate;ethyl 3-(4-bromophenyl)-2-formamidopropanoate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid;thionyl dichloride is CC(C)(C)OC(=O)N1CCN(c2ccc3cc(C(=O)Cc4ccccc4N)ncc3c2)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc3cc(C(=O)O)ncc3c2)CC1.CC(C)(C)OC(=O)N1CCNCC1.CCOC(=O)C(Cc1ccc(Br)cc1)NC=O.CCOC(=O)C(N)Cc1ccc(Br)cc1.CCOC(=O)c1cc2ccc(Br)cc2cn1.CCOC(=O)c1cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2cn1.NC(Cc1ccc(Br)cc1)C(=O)O.O=S(Cl)Cl.
What is the InChIKey of 2-amino-3-(4-bromophenyl)propanoic acid;tert-butyl 4-[3-[2-(2-aminophenyl)acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl 2-amino-3-(4-bromophenyl)propanoate;ethyl 7-bromoisoquinoline-3-carboxylate;ethyl 3-(4-bromophenyl)-2-formamidopropanoate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid;thionyl dichloride?
The InChIKey is SERBYKKYHVHSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3.C21H27N3O4.C19H23N3O4.C12H14BrNO3.C12H10BrNO2.C11H14BrNO2.C9H10BrNO2.C9H18N2O2.Cl2OS/c1-26(2,3)33-25(32)30-12-10-29(11-13-30)21-9-8-18-15-23(28-17-20(18)14-21)24(31)16-19-6-4-5-7-22(19)27;1-5-27-19(25)18-13-15-6-7-17(12-16(15)14-22-18)23-8-10-24(11-9-23)20(26)28-21(2,3)4;1-19(2,3)26-18(25)22-8-6-21(7-9-22)15-5-4-13-11-16(17(23)24)20-12-14(13)10-15;1-2-17-12(16)11(14-8-15)7-9-3-5-10(13)6-4-9;1-2-16-12(15)11-6-8-3-4-10(13)5-9(8)7-14-11;1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8;10-7-3-1-6(2-4-7)5-8(11)9(12)13;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-4(2)3/h4-9,14-15,17H,10-13,16,27H2,1-3H3;6-7,12-14H,5,8-11H2,1-4H3;4-5,10-12H,6-9H2,1-3H3,(H,23,24);3-6,8,11H,2,7H2,1H3,(H,14,15);3-7H,2H2,1H3;3-6,10H,2,7,13H2,1H3;1-4,8H,5,11H2,(H,12,13);10H,4-7H2,1-3H3;.
What are the key properties of 2-amino-3-(4-bromophenyl)propanoic acid;tert-butyl 4-[3-[2-(2-aminophenyl)acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl 2-amino-3-(4-bromophenyl)propanoate;ethyl 7-bromoisoquinoline-3-carboxylate;ethyl 3-(4-bromophenyl)-2-formamidopropanoate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid;thionyl dichloride?
2-amino-3-(4-bromophenyl)propanoic acid;tert-butyl 4-[3-[2-(2-aminophenyl)acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl 2-amino-3-(4-bromophenyl)propanoate;ethyl 7-bromoisoquinoline-3-carboxylate;ethyl 3-(4-bromophenyl)-2-formamidopropanoate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid;thionyl dichloride has a molecular weight of 2591.15 g/mol, XLogP of 20.76, 24 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-bromophenyl)propanoic acid;tert-butyl 4-[3-[2-(2-aminophenyl)acetyl]isoquinolin-7-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl 2-amino-3-(4-bromophenyl)propanoate;ethyl 7-bromoisoquinoline-3-carboxylate;ethyl 3-(4-bromophenyl)-2-formamidopropanoate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid;thionyl dichloride is sourced from PubChem (CID 160814047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).