1-tert-butyl-3,8a-dihydroindolizine;2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-3-methyl-1-(2-methylphenyl)pyrazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)benzimidazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

C190H267ClN28O5S2 — CID 157323909

IUPAC1-tert-butyl-3,8a-dihydroindolizine;2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-3-methyl-1-(2-methylphenyl)pyrazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)benzimidazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESC=C1C=C(C(C)(C)C)n2ncnc2N1.CC(C)(C)C1=CCN2C=CC=CC12.CC(C)(C)c1ccc2ncn(C3CCCCO3)c2c1.CC(C)(C)c1ccnc(N2CCCC3CCCCC32)c1.CC(C)(C)c1cnc2c(c1)C(N1CCOCC1)=CC2.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)=C(C)c1nc2c(C(C)(C)C)cccc2n1C.CC1(C)Cc2cccc(C(C)(C)C)c2O1.CN1Cc2ncccc2C(C(C)(C)C)C1.COc1cc(C)cc2c1OCC(C)C2C(C)(C)C.Cc1cc(C(C)(C)C)n(-c2ccccc2C)n1.Cc1cccc(C(C)(C)C)c1-n1cncn1.Cc1nc(C(C)(C)C)n2ncnc2n1.Cc1nc2sccn2c1C(C)(C)C
InChIInChI=1S/C18H28N2.C17H24N2.2C16H22N2O.C16H24O2.C15H20N2.C14H20O.C13H17N3.C13H20N2.C12H17N.C11H12ClNS.C10H14N4.C10H14N2S.C9H13N5/c1-18(2,3)15-10-11-19-17(13-15)20-12-6-8-14-7-4-5-9-16(14)20;1-11(2)12(3)16-18-15-13(17(4,5)6)9-8-10-14(15)19(16)7;1-16(2,3)12-10-13-14(17-11-12)4-5-15(13)18-6-8-19-9-7-18;1-16(2,3)12-7-8-13-14(10-12)18(11-17-13)15-6-4-5-9-19-15;1-10-7-12-14(16(3,4)5)11(2)9-18-15(12)13(8-10)17-6;1-11-8-6-7-9-13(11)17-14(15(3,4)5)10-12(2)16-17;1-13(2,3)11-8-6-7-10-9-14(4,5)15-12(10)11;1-10-6-5-7-11(13(2,3)4)12(10)16-9-14-8-15-16;1-13(2,3)11-8-15(4)9-12-10(11)6-5-7-14-12;1-12(2,3)10-7-9-13-8-5-4-6-11(10)13;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-7-5-8(10(2,3)4)14-9(13-7)11-6-12-14;1-7-8(10(2,3)4)12-5-6-13-9(12)11-7;1-6-12-7(9(2,3)4)14-8(13-6)10-5-11-14/h10-11,13-14,16H,4-9,12H2,1-3H3;8-10H,1-7H3;5,10-11H,4,6-9H2,1-3H3;7-8,10-11,15H,4-6,9H2,1-3H3;7-8,11,14H,9H2,1-6H3;6-10H,1-5H3;6-8H,9H2,1-5H3;5-9H,1-4H3;5-7,11H,8-9H2,1-4H3;4-8,11H,9H2,1-3H3;4-6H,1-3H3;5-6H,1H2,2-4H3,(H,11,12,13);5-6H,1-4H3;5H,1-4H3
InChIKeyBEMHYTMRKFDXTE-UHFFFAOYSA-N
MW3123.00 g/mol
LogP46.24
Rot. Bonds7

About 1-tert-butyl-3,8a-dihydroindolizine;2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-3-methyl-1-(2-methylphenyl)pyrazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)benzimidazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

1-tert-butyl-3,8a-dihydroindolizine;2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-3-methyl-1-(2-methylphenyl)pyrazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)benzimidazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (PubChem CID 157323909) has the molecular formula C190H267ClN28O5S2 and a molecular weight of 3123.00 g/mol. Its IUPAC name is 1-tert-butyl-3,8a-dihydroindolizine;2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-3-methyl-1-(2-methylphenyl)pyrazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)benzimidazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.

Molecular Properties

Compound Name1-tert-butyl-3,8a-dihydroindolizine;2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-3-methyl-1-(2-methylphenyl)pyrazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)benzimidazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
PubChem CID157323909
Molecular FormulaC190H267ClN28O5S2
Molecular Weight3123.00 g/mol
Exact Mass3120.06
IUPAC Name1-tert-butyl-3,8a-dihydroindolizine;2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-3-methyl-1-(2-methylphenyl)pyrazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)benzimidazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESC=C1C=C(C(C)(C)C)n2ncnc2N1.CC(C)(C)C1=CCN2C=CC=CC12.CC(C)(C)c1ccc2ncn(C3CCCCO3)c2c1.CC(C)(C)c1ccnc(N2CCCC3CCCCC32)c1.CC(C)(C)c1cnc2c(c1)C(N1CCOCC1)=CC2.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)=C(C)c1nc2c(C(C)(C)C)cccc2n1C.CC1(C)Cc2cccc(C(C)(C)C)c2O1.CN1Cc2ncccc2C(C(C)(C)C)C1.COc1cc(C)cc2c1OCC(C)C2C(C)(C)C.Cc1cc(C(C)(C)C)n(-c2ccccc2C)n1.Cc1cccc(C(C)(C)C)c1-n1cncn1.Cc1nc(C(C)(C)C)n2ncnc2n1.Cc1nc2sccn2c1C(C)(C)C
InChIInChI=1S/C18H28N2.C17H24N2.2C16H22N2O.C16H24O2.C15H20N2.C14H20O.C13H17N3.C13H20N2.C12H17N.C11H12ClNS.C10H14N4.C10H14N2S.C9H13N5/c1-18(2,3)15-10-11-19-17(13-15)20-12-6-8-14-7-4-5-9-16(14)20;1-11(2)12(3)16-18-15-13(17(4,5)6)9-8-10-14(15)19(16)7;1-16(2,3)12-10-13-14(17-11-12)4-5-15(13)18-6-8-19-9-7-18;1-16(2,3)12-7-8-13-14(10-12)18(11-17-13)15-6-4-5-9-19-15;1-10-7-12-14(16(3,4)5)11(2)9-18-15(12)13(8-10)17-6;1-11-8-6-7-9-13(11)17-14(15(3,4)5)10-12(2)16-17;1-13(2,3)11-8-6-7-10-9-14(4,5)15-12(10)11;1-10-6-5-7-11(13(2,3)4)12(10)16-9-14-8-15-16;1-13(2,3)11-8-15(4)9-12-10(11)6-5-7-14-12;1-12(2,3)10-7-9-13-8-5-4-6-11(10)13;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-7-5-8(10(2,3)4)14-9(13-7)11-6-12-14;1-7-8(10(2,3)4)12-5-6-13-9(12)11-7;1-6-12-7(9(2,3)4)14-8(13-6)10-5-11-14/h10-11,13-14,16H,4-9,12H2,1-3H3;8-10H,1-7H3;5,10-11H,4,6-9H2,1-3H3;7-8,10-11,15H,4-6,9H2,1-3H3;7-8,11,14H,9H2,1-6H3;6-10H,1-5H3;6-8H,9H2,1-5H3;5-9H,1-4H3;5-7,11H,8-9H2,1-4H3;4-8,11H,9H2,1-3H3;4-6H,1-3H3;5-6H,1H2,2-4H3,(H,11,12,13);5-6H,1-4H3;5H,1-4H3
InChIKeyBEMHYTMRKFDXTE-UHFFFAOYSA-N
XLogP46.24
TPSA310.85 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds7
Heavy Atoms226
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003123.00
LogP ≤ 546.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-3,8a-dihydroindolizine;2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-3-methyl-1-(2-methylphenyl)pyrazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)benzimidazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,8a-dihydroindolizine;2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-3-methyl-1-(2-methylphenyl)pyrazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)benzimidazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The IUPAC name of 1-tert-butyl-3,8a-dihydroindolizine;2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-3-methyl-1-(2-methylphenyl)pyrazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)benzimidazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (CID 157323909) is 1-tert-butyl-3,8a-dihydroindolizine;2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-3-methyl-1-(2-methylphenyl)pyrazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)benzimidazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.
What is the SMILES notation for 1-tert-butyl-3,8a-dihydroindolizine;2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-3-methyl-1-(2-methylphenyl)pyrazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)benzimidazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The canonical SMILES for 1-tert-butyl-3,8a-dihydroindolizine;2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-3-methyl-1-(2-methylphenyl)pyrazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)benzimidazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is C=C1C=C(C(C)(C)C)n2ncnc2N1.CC(C)(C)C1=CCN2C=CC=CC12.CC(C)(C)c1ccc2ncn(C3CCCCO3)c2c1.CC(C)(C)c1ccnc(N2CCCC3CCCCC32)c1.CC(C)(C)c1cnc2c(c1)C(N1CCOCC1)=CC2.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)=C(C)c1nc2c(C(C)(C)C)cccc2n1C.CC1(C)Cc2cccc(C(C)(C)C)c2O1.CN1Cc2ncccc2C(C(C)(C)C)C1.COc1cc(C)cc2c1OCC(C)C2C(C)(C)C.Cc1cc(C(C)(C)C)n(-c2ccccc2C)n1.Cc1cccc(C(C)(C)C)c1-n1cncn1.Cc1nc(C(C)(C)C)n2ncnc2n1.Cc1nc2sccn2c1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3,8a-dihydroindolizine;2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-3-methyl-1-(2-methylphenyl)pyrazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)benzimidazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The InChIKey is BEMHYTMRKFDXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2.C17H24N2.2C16H22N2O.C16H24O2.C15H20N2.C14H20O.C13H17N3.C13H20N2.C12H17N.C11H12ClNS.C10H14N4.C10H14N2S.C9H13N5/c1-18(2,3)15-10-11-19-17(13-15)20-12-6-8-14-7-4-5-9-16(14)20;1-11(2)12(3)16-18-15-13(17(4,5)6)9-8-10-14(15)19(16)7;1-16(2,3)12-10-13-14(17-11-12)4-5-15(13)18-6-8-19-9-7-18;1-16(2,3)12-7-8-13-14(10-12)18(11-17-13)15-6-4-5-9-19-15;1-10-7-12-14(16(3,4)5)11(2)9-18-15(12)13(8-10)17-6;1-11-8-6-7-9-13(11)17-14(15(3,4)5)10-12(2)16-17;1-13(2,3)11-8-6-7-10-9-14(4,5)15-12(10)11;1-10-6-5-7-11(13(2,3)4)12(10)16-9-14-8-15-16;1-13(2,3)11-8-15(4)9-12-10(11)6-5-7-14-12;1-12(2,3)10-7-9-13-8-5-4-6-11(10)13;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-7-5-8(10(2,3)4)14-9(13-7)11-6-12-14;1-7-8(10(2,3)4)12-5-6-13-9(12)11-7;1-6-12-7(9(2,3)4)14-8(13-6)10-5-11-14/h10-11,13-14,16H,4-9,12H2,1-3H3;8-10H,1-7H3;5,10-11H,4,6-9H2,1-3H3;7-8,10-11,15H,4-6,9H2,1-3H3;7-8,11,14H,9H2,1-6H3;6-10H,1-5H3;6-8H,9H2,1-5H3;5-9H,1-4H3;5-7,11H,8-9H2,1-4H3;4-8,11H,9H2,1-3H3;4-6H,1-3H3;5-6H,1H2,2-4H3,(H,11,12,13);5-6H,1-4H3;5H,1-4H3.
What are the key properties of 1-tert-butyl-3,8a-dihydroindolizine;2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-3-methyl-1-(2-methylphenyl)pyrazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)benzimidazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
1-tert-butyl-3,8a-dihydroindolizine;2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-3-methyl-1-(2-methylphenyl)pyrazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)benzimidazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline has a molecular weight of 3123.00 g/mol, XLogP of 46.24, 7 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,8a-dihydroindolizine;2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-3-methyl-1-(2-methylphenyl)pyrazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)benzimidazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is sourced from PubChem (CID 157323909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).