lithium;deuterio(fluoro)methane;1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;2-(3-methoxyphenyl)ethanamine;methyl (2S)-2-amino-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl 1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydroxide

C109H113Cl10FLiN11O23S4 — CID 159761694

IUPAClithium;deuterio(fluoro)methane;1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;2-(3-methoxyphenyl)ethanamine;methyl (2S)-2-amino-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl 1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydroxide
SMILESCOC(=O)[C@@H](N)CNC(=O)c1cccs1.COC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2c(c1Cl)CCCC2.COC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3ccoc3c1)C2.COC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2c(c1Cl)CCNC2.COC(=O)c1c(Cl)cc2c(c1Cl)CCCC2.COc1cccc(CCN)c1.O=C(O)c1c(Cl)cc2c(c1Cl)CCCC2.[2H]CF.[Li+].[OH-]
InChIInChI=1S/C28H23Cl2N3O6S.C20H20Cl2N2O4S.C19H19Cl2N3O4S.C12H12Cl2O2.C11H10Cl2O2.C9H12N2O3S.C9H13NO.CH3F.Li.H2O/c1-38-28(37)20(13-31-25(34)22-3-2-10-40-22)32-26(35)23-19(29)11-17-14-33(8-6-18(17)24(23)30)27(36)16-5-4-15-7-9-39-21(15)12-16;1-28-20(27)14(10-23-18(25)15-7-4-8-29-15)24-19(26)16-13(21)9-11-5-2-3-6-12(11)17(16)22;1-28-19(27)13(9-23-17(25)14-3-2-6-29-14)24-18(26)15-12(20)7-10-8-22-5-4-11(10)16(15)21;1-16-12(15)10-9(13)6-7-4-2-3-5-8(7)11(10)14;12-8-5-6-3-1-2-4-7(6)10(13)9(8)11(14)15;1-14-9(13)6(10)5-11-8(12)7-3-2-4-15-7;1-11-9-4-2-3-8(7-9)5-6-10;1-2;;/h2-5,7,9-12,20H,6,8,13-14H2,1H3,(H,31,34)(H,32,35);4,7-9,14H,2-3,5-6,10H2,1H3,(H,23,25)(H,24,26);2-3,6-7,13,22H,4-5,8-9H2,1H3,(H,23,25)(H,24,26);6H,2-5H2,1H3;5H,1-4H2,(H,14,15);2-4,6H,5,10H2,1H3,(H,11,12);2-4,7H,5-6,10H2,1H3;1H3;;1H2/q;;;;;;;;+1;/p-1/t20-;14-;13-;;;6-;;;;/m000..0..../s1/i;;;;;;;1D;;
InChIKeyNEYYJSXUMKKMRM-PJGJZTPQSA-M
MW2454.90 g/mol
LogP16.55
Rot. Bonds28

About lithium;deuterio(fluoro)methane;1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;2-(3-methoxyphenyl)ethanamine;methyl (2S)-2-amino-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl 1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydroxide

lithium;deuterio(fluoro)methane;1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;2-(3-methoxyphenyl)ethanamine;methyl (2S)-2-amino-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl 1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydroxide (PubChem CID 159761694) has the molecular formula C109H113Cl10FLiN11O23S4 and a molecular weight of 2454.90 g/mol. Its IUPAC name is lithium;deuterio(fluoro)methane;1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;2-(3-methoxyphenyl)ethanamine;methyl (2S)-2-amino-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl 1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydroxide.

Molecular Properties

Compound Namelithium;deuterio(fluoro)methane;1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;2-(3-methoxyphenyl)ethanamine;methyl (2S)-2-amino-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl 1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydroxide
PubChem CID159761694
Molecular FormulaC109H113Cl10FLiN11O23S4
Molecular Weight2454.90 g/mol
Exact Mass2448.40
IUPAC Namelithium;deuterio(fluoro)methane;1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;2-(3-methoxyphenyl)ethanamine;methyl (2S)-2-amino-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl 1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydroxide
SMILESCOC(=O)[C@@H](N)CNC(=O)c1cccs1.COC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2c(c1Cl)CCCC2.COC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3ccoc3c1)C2.COC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2c(c1Cl)CCNC2.COC(=O)c1c(Cl)cc2c(c1Cl)CCCC2.COc1cccc(CCN)c1.O=C(O)c1c(Cl)cc2c(c1Cl)CCCC2.[2H]CF.[Li+].[OH-]
InChIInChI=1S/C28H23Cl2N3O6S.C20H20Cl2N2O4S.C19H19Cl2N3O4S.C12H12Cl2O2.C11H10Cl2O2.C9H12N2O3S.C9H13NO.CH3F.Li.H2O/c1-38-28(37)20(13-31-25(34)22-3-2-10-40-22)32-26(35)23-19(29)11-17-14-33(8-6-18(17)24(23)30)27(36)16-5-4-15-7-9-39-21(15)12-16;1-28-20(27)14(10-23-18(25)15-7-4-8-29-15)24-19(26)16-13(21)9-11-5-2-3-6-12(11)17(16)22;1-28-19(27)13(9-23-17(25)14-3-2-6-29-14)24-18(26)15-12(20)7-10-8-22-5-4-11(10)16(15)21;1-16-12(15)10-9(13)6-7-4-2-3-5-8(7)11(10)14;12-8-5-6-3-1-2-4-7(6)10(13)9(8)11(14)15;1-14-9(13)6(10)5-11-8(12)7-3-2-4-15-7;1-11-9-4-2-3-8(7-9)5-6-10;1-2;;/h2-5,7,9-12,20H,6,8,13-14H2,1H3,(H,31,34)(H,32,35);4,7-9,14H,2-3,5-6,10H2,1H3,(H,23,25)(H,24,26);2-3,6-7,13,22H,4-5,8-9H2,1H3,(H,23,25)(H,24,26);6H,2-5H2,1H3;5H,1-4H2,(H,14,15);2-4,6H,5,10H2,1H3,(H,11,12);2-4,7H,5-6,10H2,1H3;1H3;;1H2/q;;;;;;;;+1;/p-1/t20-;14-;13-;;;6-;;;;/m000..0..../s1/i;;;;;;;1D;;
InChIKeyNEYYJSXUMKKMRM-PJGJZTPQSA-M
XLogP16.55
TPSA509.25 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002454.90
LogP ≤ 516.55
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze lithium;deuterio(fluoro)methane;1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;2-(3-methoxyphenyl)ethanamine;methyl (2S)-2-amino-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl 1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydroxide 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

(2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-ethylsulfinylphenyl)propanoic acid
CID 129141505
benzyl (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoate
CID 44514948
benzyl 2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoate
CID 75038797
2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 59640663
(2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-formamidophenyl)propanoic acid
CID 175020947
(2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-chloro-5-methylsulfonylphenyl)propanoic acid
CID 62705408
(2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(1-propan-2-yltriazol-4-yl)propanoic acid;2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 158452939
1-[(2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfinylphenyl)propanoyl]oxyethyl 2,2-dimethylpropanoate
CID 155230122
4-[1-[2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoyl]oxyethoxycarbonyl]-2-methyl-1,3-thiazolidine-3-carboxylic acid
CID 170431910
1-[3-hydroxy-2-(hydroxymethyl)propoxy]carbonyloxyethyl (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfanylphenyl)propanoate
CID 155712594
1-[2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoyl]oxyethyl 3-acetyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
CID 170432040
(2S)-3-[[N'-(aminomethyl)-N-(2-methoxyethyl)carbamimidoyl]amino]-2-[[2-(1-benzofuran-2-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]propanoic acid
CID 70998954

Frequently Asked Questions

What is the IUPAC name of lithium;deuterio(fluoro)methane;1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;2-(3-methoxyphenyl)ethanamine;methyl (2S)-2-amino-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl 1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydroxide?
The IUPAC name of lithium;deuterio(fluoro)methane;1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;2-(3-methoxyphenyl)ethanamine;methyl (2S)-2-amino-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl 1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydroxide (CID 159761694) is lithium;deuterio(fluoro)methane;1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;2-(3-methoxyphenyl)ethanamine;methyl (2S)-2-amino-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl 1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydroxide.
What is the SMILES notation for lithium;deuterio(fluoro)methane;1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;2-(3-methoxyphenyl)ethanamine;methyl (2S)-2-amino-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl 1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydroxide?
The canonical SMILES for lithium;deuterio(fluoro)methane;1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;2-(3-methoxyphenyl)ethanamine;methyl (2S)-2-amino-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl 1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydroxide is COC(=O)[C@@H](N)CNC(=O)c1cccs1.COC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2c(c1Cl)CCCC2.COC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3ccoc3c1)C2.COC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2c(c1Cl)CCNC2.COC(=O)c1c(Cl)cc2c(c1Cl)CCCC2.COc1cccc(CCN)c1.O=C(O)c1c(Cl)cc2c(c1Cl)CCCC2.[2H]CF.[Li+].[OH-].
What is the InChIKey of lithium;deuterio(fluoro)methane;1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;2-(3-methoxyphenyl)ethanamine;methyl (2S)-2-amino-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl 1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydroxide?
The InChIKey is NEYYJSXUMKKMRM-PJGJZTPQSA-M. The full InChI is InChI=1S/C28H23Cl2N3O6S.C20H20Cl2N2O4S.C19H19Cl2N3O4S.C12H12Cl2O2.C11H10Cl2O2.C9H12N2O3S.C9H13NO.CH3F.Li.H2O/c1-38-28(37)20(13-31-25(34)22-3-2-10-40-22)32-26(35)23-19(29)11-17-14-33(8-6-18(17)24(23)30)27(36)16-5-4-15-7-9-39-21(15)12-16;1-28-20(27)14(10-23-18(25)15-7-4-8-29-15)24-19(26)16-13(21)9-11-5-2-3-6-12(11)17(16)22;1-28-19(27)13(9-23-17(25)14-3-2-6-29-14)24-18(26)15-12(20)7-10-8-22-5-4-11(10)16(15)21;1-16-12(15)10-9(13)6-7-4-2-3-5-8(7)11(10)14;12-8-5-6-3-1-2-4-7(6)10(13)9(8)11(14)15;1-14-9(13)6(10)5-11-8(12)7-3-2-4-15-7;1-11-9-4-2-3-8(7-9)5-6-10;1-2;;/h2-5,7,9-12,20H,6,8,13-14H2,1H3,(H,31,34)(H,32,35);4,7-9,14H,2-3,5-6,10H2,1H3,(H,23,25)(H,24,26);2-3,6-7,13,22H,4-5,8-9H2,1H3,(H,23,25)(H,24,26);6H,2-5H2,1H3;5H,1-4H2,(H,14,15);2-4,6H,5,10H2,1H3,(H,11,12);2-4,7H,5-6,10H2,1H3;1H3;;1H2/q;;;;;;;;+1;/p-1/t20-;14-;13-;;;6-;;;;/m000..0..../s1/i;;;;;;;1D;;.
What are the key properties of lithium;deuterio(fluoro)methane;1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;2-(3-methoxyphenyl)ethanamine;methyl (2S)-2-amino-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl 1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydroxide?
lithium;deuterio(fluoro)methane;1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;2-(3-methoxyphenyl)ethanamine;methyl (2S)-2-amino-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl 1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydroxide has a molecular weight of 2454.90 g/mol, XLogP of 16.55, 28 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;deuterio(fluoro)methane;1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;2-(3-methoxyphenyl)ethanamine;methyl (2S)-2-amino-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl (2S)-2-[(1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]-3-(thiophene-2-carbonylamino)propanoate;methyl 1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydroxide is sourced from PubChem (CID 159761694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).