bromomethane;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;5-tert-butyl-2-fluorophenol;1-tert-butyl-2-methylpiperidine;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butylthiophene;3-methyl-1-propan-2-ylindazole;1-propan-2-ylpyrrolo[2,3-b]pyridine

C113H158BrF3N12O4S2 — CID 157218771

IUPACbromomethane;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;5-tert-butyl-2-fluorophenol;1-tert-butyl-2-methylpiperidine;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butylthiophene;3-methyl-1-propan-2-ylindazole;1-propan-2-ylpyrrolo[2,3-b]pyridine
SMILESCBr.CC(=O)Nc1nc2ccc(C(C)(C)C)cc2s1.CC(C)(C)c1cc(O)cc(F)c1.CC(C)(C)c1cc2cc(F)ccc2[nH]1.CC(C)(C)c1ccc(F)c(O)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1cccs1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)n1ccc2cccnc21.CC1CCCCN1C(C)(C)C.Cc1nn(C(C)C)c2ccccc12
InChIInChI=1S/C13H16N2OS.C12H14FN.2C11H14N2.2C10H13FO.C10H12N2.C10H21N.C10H14O.C8H12S.C7H12N2.CH3Br/c1-8(16)14-12-15-10-6-5-9(13(2,3)4)7-11(10)17-12;1-12(2,3)11-7-8-6-9(13)4-5-10(8)14-11;1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-8(2)13-11-7-5-4-6-10(11)9(3)12-13;1-10(2,3)7-4-8(11)6-9(12)5-7;1-10(2,3)7-4-5-8(11)9(12)6-7;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-9-7-5-6-8-11(9)10(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-2/h5-7H,1-4H3,(H,14,15,16);4-7,14H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;2*4-6,12H,1-3H3;3-8H,1-2H3;9H,5-8H2,1-4H3;4-7,11H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);1H3
InChIKeyASSQQMKJZATDOQ-UHFFFAOYSA-N
MW1949.62 g/mol
LogP32.33
Rot. Bonds3

About bromomethane;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;5-tert-butyl-2-fluorophenol;1-tert-butyl-2-methylpiperidine;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butylthiophene;3-methyl-1-propan-2-ylindazole;1-propan-2-ylpyrrolo[2,3-b]pyridine

bromomethane;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;5-tert-butyl-2-fluorophenol;1-tert-butyl-2-methylpiperidine;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butylthiophene;3-methyl-1-propan-2-ylindazole;1-propan-2-ylpyrrolo[2,3-b]pyridine (PubChem CID 157218771) has the molecular formula C113H158BrF3N12O4S2 and a molecular weight of 1949.62 g/mol. Its IUPAC name is bromomethane;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;5-tert-butyl-2-fluorophenol;1-tert-butyl-2-methylpiperidine;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butylthiophene;3-methyl-1-propan-2-ylindazole;1-propan-2-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Namebromomethane;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;5-tert-butyl-2-fluorophenol;1-tert-butyl-2-methylpiperidine;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butylthiophene;3-methyl-1-propan-2-ylindazole;1-propan-2-ylpyrrolo[2,3-b]pyridine
PubChem CID157218771
Molecular FormulaC113H158BrF3N12O4S2
Molecular Weight1949.62 g/mol
Exact Mass1947.11
IUPAC Namebromomethane;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;5-tert-butyl-2-fluorophenol;1-tert-butyl-2-methylpiperidine;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butylthiophene;3-methyl-1-propan-2-ylindazole;1-propan-2-ylpyrrolo[2,3-b]pyridine
SMILESCBr.CC(=O)Nc1nc2ccc(C(C)(C)C)cc2s1.CC(C)(C)c1cc(O)cc(F)c1.CC(C)(C)c1cc2cc(F)ccc2[nH]1.CC(C)(C)c1ccc(F)c(O)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1cccs1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)n1ccc2cccnc21.CC1CCCCN1C(C)(C)C.Cc1nn(C(C)C)c2ccccc12
InChIInChI=1S/C13H16N2OS.C12H14FN.2C11H14N2.2C10H13FO.C10H12N2.C10H21N.C10H14O.C8H12S.C7H12N2.CH3Br/c1-8(16)14-12-15-10-6-5-9(13(2,3)4)7-11(10)17-12;1-12(2,3)11-7-8-6-9(13)4-5-10(8)14-11;1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-8(2)13-11-7-5-4-6-10(11)9(3)12-13;1-10(2,3)7-4-8(11)6-9(12)5-7;1-10(2,3)7-4-5-8(11)9(12)6-7;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-9-7-5-6-8-11(9)10(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-2/h5-7H,1-4H3,(H,14,15,16);4-7,14H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;2*4-6,12H,1-3H3;3-8H,1-2H3;9H,5-8H2,1-4H3;4-7,11H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);1H3
InChIKeyASSQQMKJZATDOQ-UHFFFAOYSA-N
XLogP32.33
TPSA214.71 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds3
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001949.62
LogP ≤ 532.33
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze bromomethane;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;5-tert-butyl-2-fluorophenol;1-tert-butyl-2-methylpiperidine;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butylthiophene;3-methyl-1-propan-2-ylindazole;1-propan-2-ylpyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[6-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;3-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 157211825
N-[6-[4-amino-1-[[2-[2-(4-methylpiperazin-1-yl)ethyl]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[2-(4-methylpiperazin-1-yl)ethyl]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-(2-amino-4-pyridinyl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-amino-4-pyridinyl)-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 157269005
3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;N-[6-[4-amino-1-[[2-(dimethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;6-[4-amino-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]quinolin-2-amine
CID 157458672
5-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;6-[4-amino-1-[[2-(2-pyrrolidin-1-ylethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine;N-[6-[4-amino-1-[[2-(2-pyrrolidin-1-ylethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-(2-pyrrolidin-1-ylethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 157979342
5-fluoro-3-methyl-1H-indole;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine
CID 158179994
bromomethane;3-tert-butyl-5-fluorophenol;1-tert-butylimidazole;1-tert-butyl-4-methylimidazole;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;4-tert-butylmorpholine;3-tert-butylphenol;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;1-tert-butylpyrrolidine;2-tert-butylthiophene;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;2,4-di(propan-2-yl)-1,3-thiazole;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;1-ethyl-4-propan-2-ylpiperazine;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;3-methyl-2H-indazole;2-methylpropane;2-methyl-1-propan-2-ylimidazole;2-methyl-4-propan-2-yl-1,3-thiazole;propane;1-propan-2-ylpiperidine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one;1H-pyrrolo[2,3-b]pyridine
CID 158556082
6-[4-amino-1-[[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine;N-[6-[4-amino-1-[[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluoro-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;6-[4-amino-1-[(3-pyrrolidin-1-ylquinoxalin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 158700642
6-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine;N-[6-[4-amino-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[4-amino-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-(4-methyl-3-pyridinyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol
CID 159193811
5-fluoro-3-methyl-1H-indole;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 159614717
3-[4-amino-1-[1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[1-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;N-[6-[4-amino-1-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;1-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 160197624
3-[[4-amino-3-(2-amino-1,3-benzothiazol-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-1-ethylquinoxalin-2-one;N-[6-[4-amino-1-[(4-ethyl-3-oxoquinoxalin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-1-ethylquinoxalin-2-one;3-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-1-ethylquinoxalin-2-one
CID 160482229
2-[6-[[(3R,4S)-4-fluoro-1-methylpyrrolidin-3-yl]amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(1H-pyrazol-4-yl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]phenol;5-(1H-pyrazol-4-yl)-2-[2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]phenol
CID 161140858

Frequently Asked Questions

What is the IUPAC name of bromomethane;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;5-tert-butyl-2-fluorophenol;1-tert-butyl-2-methylpiperidine;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butylthiophene;3-methyl-1-propan-2-ylindazole;1-propan-2-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of bromomethane;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;5-tert-butyl-2-fluorophenol;1-tert-butyl-2-methylpiperidine;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butylthiophene;3-methyl-1-propan-2-ylindazole;1-propan-2-ylpyrrolo[2,3-b]pyridine (CID 157218771) is bromomethane;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;5-tert-butyl-2-fluorophenol;1-tert-butyl-2-methylpiperidine;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butylthiophene;3-methyl-1-propan-2-ylindazole;1-propan-2-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for bromomethane;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;5-tert-butyl-2-fluorophenol;1-tert-butyl-2-methylpiperidine;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butylthiophene;3-methyl-1-propan-2-ylindazole;1-propan-2-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for bromomethane;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;5-tert-butyl-2-fluorophenol;1-tert-butyl-2-methylpiperidine;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butylthiophene;3-methyl-1-propan-2-ylindazole;1-propan-2-ylpyrrolo[2,3-b]pyridine is CBr.CC(=O)Nc1nc2ccc(C(C)(C)C)cc2s1.CC(C)(C)c1cc(O)cc(F)c1.CC(C)(C)c1cc2cc(F)ccc2[nH]1.CC(C)(C)c1ccc(F)c(O)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1cccs1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)n1ccc2cccnc21.CC1CCCCN1C(C)(C)C.Cc1nn(C(C)C)c2ccccc12.
What is the InChIKey of bromomethane;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;5-tert-butyl-2-fluorophenol;1-tert-butyl-2-methylpiperidine;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butylthiophene;3-methyl-1-propan-2-ylindazole;1-propan-2-ylpyrrolo[2,3-b]pyridine?
The InChIKey is ASSQQMKJZATDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS.C12H14FN.2C11H14N2.2C10H13FO.C10H12N2.C10H21N.C10H14O.C8H12S.C7H12N2.CH3Br/c1-8(16)14-12-15-10-6-5-9(13(2,3)4)7-11(10)17-12;1-12(2,3)11-7-8-6-9(13)4-5-10(8)14-11;1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-8(2)13-11-7-5-4-6-10(11)9(3)12-13;1-10(2,3)7-4-8(11)6-9(12)5-7;1-10(2,3)7-4-5-8(11)9(12)6-7;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-9-7-5-6-8-11(9)10(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-2/h5-7H,1-4H3,(H,14,15,16);4-7,14H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;2*4-6,12H,1-3H3;3-8H,1-2H3;9H,5-8H2,1-4H3;4-7,11H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);1H3.
What are the key properties of bromomethane;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;5-tert-butyl-2-fluorophenol;1-tert-butyl-2-methylpiperidine;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butylthiophene;3-methyl-1-propan-2-ylindazole;1-propan-2-ylpyrrolo[2,3-b]pyridine?
bromomethane;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;5-tert-butyl-2-fluorophenol;1-tert-butyl-2-methylpiperidine;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butylthiophene;3-methyl-1-propan-2-ylindazole;1-propan-2-ylpyrrolo[2,3-b]pyridine has a molecular weight of 1949.62 g/mol, XLogP of 32.33, 3 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;5-tert-butyl-2-fluorophenol;1-tert-butyl-2-methylpiperidine;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butylthiophene;3-methyl-1-propan-2-ylindazole;1-propan-2-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157218771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).