C140H188Br4Cl3LiN13O19Si- — CID 158544647
lithium;5-bromo-2-ethyl-1-methylindole;1-(5-bromo-1H-indol-2-yl)ethanone;1-(5-bromo-1-methylindol-2-yl)ethanone;(5-bromo-1-methylindol-2-yl)methanol;tert-butyl-chloro-dimethylsilane;N-tert-butyl-1-(2-ethyl-1-methylindol-5-yl)butan-1-imine;dichloromethane;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[2-(hydroxymethyl)-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;1-(2-ethyl-1-methylindol-5-yl)butan-1-one;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(2-ethyl-1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide (PubChem CID 158544647) has the molecular formula C140H188Br4Cl3LiN13O19Si- and a molecular weight of 2818.12 g/mol. Its IUPAC name is lithium;5-bromo-2-ethyl-1-methylindole;1-(5-bromo-1H-indol-2-yl)ethanone;1-(5-bromo-1-methylindol-2-yl)ethanone;(5-bromo-1-methylindol-2-yl)methanol;tert-butyl-chloro-dimethylsilane;N-tert-butyl-1-(2-ethyl-1-methylindol-5-yl)butan-1-imine;dichloromethane;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[2-(hydroxymethyl)-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;1-(2-ethyl-1-methylindol-5-yl)butan-1-one;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(2-ethyl-1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide.
| Compound Name | lithium;5-bromo-2-ethyl-1-methylindole;1-(5-bromo-1H-indol-2-yl)ethanone;1-(5-bromo-1-methylindol-2-yl)ethanone;(5-bromo-1-methylindol-2-yl)methanol;tert-butyl-chloro-dimethylsilane;N-tert-butyl-1-(2-ethyl-1-methylindol-5-yl)butan-1-imine;dichloromethane;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[2-(hydroxymethyl)-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;1-(2-ethyl-1-methylindol-5-yl)butan-1-one;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(2-ethyl-1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide |
|---|---|
| PubChem CID | 158544647 |
| Molecular Formula | C140H188Br4Cl3LiN13O19Si- |
| Molecular Weight | 2818.12 g/mol |
| Exact Mass | 2810.99 |
| IUPAC Name | lithium;5-bromo-2-ethyl-1-methylindole;1-(5-bromo-1H-indol-2-yl)ethanone;1-(5-bromo-1-methylindol-2-yl)ethanone;(5-bromo-1-methylindol-2-yl)methanol;tert-butyl-chloro-dimethylsilane;N-tert-butyl-1-(2-ethyl-1-methylindol-5-yl)butan-1-imine;dichloromethane;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-[2-(hydroxymethyl)-1-methylindol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;1-(2-ethyl-1-methylindol-5-yl)butan-1-one;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(2-ethyl-1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide |
| SMILES | C.C.CC(=O)c1cc2cc(Br)ccc2[nH]1.CC(=O)c1cc2cc(Br)ccc2n1C.CC(C)(C)N.CC(C)(C)[Si](C)(C)Cl.CC=C(C(=O)OC)C(=O)OC.CCC/C(=N\C(C)(C)C)c1ccc2c(c1)cc(CC)n2C.CCCC(=O)N(C)OC.CCCC(=O)c1ccc2c(c1)cc(CC)n2C.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(CO)n2C.CCc1cc(C(=O)OC)c(=O)[nH]c1-c1ccc2c(c1)cc(CC)n2C.CCc1cc2cc(Br)ccc2n1C.ClCCl.Cn1c(CO)cc2cc(Br)ccc21.[Li+].[OH-].[OH-] |
| InChI | InChI=1S/C20H22N2O3.C19H28N2.C18H18N2O4.C15H19NO.C11H10BrNO.C11H12BrN.C10H10BrNO.C10H8BrNO.C7H10O4.C6H15ClSi.C6H13NO2.C4H11N.CH2Cl2.2CH4.Li.2H2O/c1-5-12-11-16(20(24)25-4)19(23)21-18(12)13-7-8-17-14(9-13)10-15(6-2)22(17)3;1-7-9-17(20-19(3,4)5)14-10-11-18-15(12-14)13-16(8-2)21(18)6;1-3-10-8-14(18(23)24)17(22)19-16(10)11-4-5-15-12(6-11)7-13(9-21)20(15)2;1-4-6-15(17)11-7-8-14-12(9-11)10-13(5-2)16(14)3;1-7(14)11-6-8-5-9(12)3-4-10(8)13(11)2;1-3-10-7-8-6-9(12)4-5-11(8)13(10)2;1-12-9(6-13)5-7-4-8(11)2-3-10(7)12;1-6(13)10-5-7-4-8(11)2-3-9(7)12-10;1-4-5(6(8)10-2)7(9)11-3;1-6(2,3)8(4,5)7;1-4-5-6(8)7(2)9-3;1-4(2,3)5;2-1-3;;;;;/h7-11H,5-6H2,1-4H3,(H,21,23);10-13H,7-9H2,1-6H3;4-8,21H,3,9H2,1-2H3,(H,19,22)(H,23,24);7-10H,4-6H2,1-3H3;3-6H,1-2H3;4-7H,3H2,1-2H3;2-5,13H,6H2,1H3;2-5,12H,1H3;4H,1-3H3;1-5H3;4-5H2,1-3H3;5H2,1-3H3;1H2;2*1H4;;2*1H2/q;;;;;;;;;;;;;;;+1;;/p-2/b;20-17+;;;;;;;;;;;;;;;; |
| InChIKey | QICKUEPZOMBFTO-METTYNINSA-L |
| XLogP | 31.20 |
| TPSA | 451.81 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 181 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2818.12 |
| LogP ≤ 5 | 31.20 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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