4-tert-butyl-3a,7a-dihydro-1,3-benzothiazole;tert-butylbenzene;4-tert-butyl-1,2-benzothiazole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;7-tert-butyl-1H-indole;5-tert-butylindolizine;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline

C248H305N21S2 — CID 157296347

IUPAC4-tert-butyl-3a,7a-dihydro-1,3-benzothiazole;tert-butylbenzene;4-tert-butyl-1,2-benzothiazole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;7-tert-butyl-1H-indole;5-tert-butylindolizine;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline
SMILESCC(C)(C)C1=CC=CC2SC=NC12.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2ccncc12.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2sncc12.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1nncc2ccccc12
InChIInChI=1S/2C14H16.7C13H15N.C12H14N2.3C12H15N.2C11H14N2.C11H13NS.C11H15NS.C10H14.3C9H13N/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)11-10-7-5-4-6-9(10)8-13-14-11;1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10;1-11(2,3)8-5-4-6-9-10(8)12-7-13-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8/h2*4-10H,1-3H3;7*4-9H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;2*4-8,13H,1-3H3;2*4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-7,9-10H,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3
InChIKeyBBJVTBPZBVUVLW-UHFFFAOYSA-N
MW3644.45 g/mol
LogP68.57
Rot. Bonds

About 4-tert-butyl-3a,7a-dihydro-1,3-benzothiazole;tert-butylbenzene;4-tert-butyl-1,2-benzothiazole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;7-tert-butyl-1H-indole;5-tert-butylindolizine;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline

4-tert-butyl-3a,7a-dihydro-1,3-benzothiazole;tert-butylbenzene;4-tert-butyl-1,2-benzothiazole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;7-tert-butyl-1H-indole;5-tert-butylindolizine;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline (PubChem CID 157296347) has the molecular formula C248H305N21S2 and a molecular weight of 3644.45 g/mol. Its IUPAC name is 4-tert-butyl-3a,7a-dihydro-1,3-benzothiazole;tert-butylbenzene;4-tert-butyl-1,2-benzothiazole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;7-tert-butyl-1H-indole;5-tert-butylindolizine;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline.

Molecular Properties

Compound Name4-tert-butyl-3a,7a-dihydro-1,3-benzothiazole;tert-butylbenzene;4-tert-butyl-1,2-benzothiazole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;7-tert-butyl-1H-indole;5-tert-butylindolizine;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline
PubChem CID157296347
Molecular FormulaC248H305N21S2
Molecular Weight3644.45 g/mol
Exact Mass3641.40
IUPAC Name4-tert-butyl-3a,7a-dihydro-1,3-benzothiazole;tert-butylbenzene;4-tert-butyl-1,2-benzothiazole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;7-tert-butyl-1H-indole;5-tert-butylindolizine;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline
SMILESCC(C)(C)C1=CC=CC2SC=NC12.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2ccncc12.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2sncc12.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1nncc2ccccc12
InChIInChI=1S/2C14H16.7C13H15N.C12H14N2.3C12H15N.2C11H14N2.C11H13NS.C11H15NS.C10H14.3C9H13N/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)11-10-7-5-4-6-9(10)8-13-14-11;1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10;1-11(2,3)8-5-4-6-9-10(8)12-7-13-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8/h2*4-10H,1-3H3;7*4-9H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;2*4-8,13H,1-3H3;2*4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-7,9-10H,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3
InChIKeyBBJVTBPZBVUVLW-UHFFFAOYSA-N
XLogP68.57
TPSA273.28 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003644.45
LogP ≤ 568.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 4-tert-butyl-3a,7a-dihydro-1,3-benzothiazole;tert-butylbenzene;4-tert-butyl-1,2-benzothiazole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;7-tert-butyl-1H-indole;5-tert-butylindolizine;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline with MolForge

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Launch Full Analysis

Related Compounds

2-[6-cinnolin-3-yl-3-(1H-indazol-3-yl)-5-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)-2-thiophen-2-yl-1-benzothiophen-7-yl]quinoxaline
CID 141053556
3-[2-(1H-indazol-3-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-5-isoquinolin-1-yl-6-quinolin-2-yl-1-benzothiophen-7-yl]cinnoline
CID 141104080
4-tert-butyl-1-benzothiophene;3-tert-butyl-2H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole
CID 157490735
5-[2-[3,5-Bis[2-(5-methyl-1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-4-dibenzothiophen-3-yl-2-phenylpyridine;5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-phenyl-4-[3-(4-phenylphenyl)phenyl]pyridine;5-[2-[3,5-bis[2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-phenyl-4-(3-phenylphenyl)pyridine;tetrakis(iridium(3+));2-[4-[1-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]-5-[1-(4-pyridin-2-ylbenzene-5-id-1-yl)pyrrol-2-yl]phenyl]pyrrol-2-yl]benzene-6-id-1-yl]pyridine
CID 157906116
7-(5-tert-butyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;3-methyl-3-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyrazol-1-yl]thiolane 1,1-dioxide;7-(1-phenylpyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-pyridin-3-yl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-thiophen-3-yl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
CID 159756522
11,11-Dimethyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11,11-diphenyl-5-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)indeno[1,2-b]carbazole;11-(3-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;2-[3-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)phenyl]pyrazolo[1,5-b]isoquinoline
CID 159819483
cumene;bis(5-propan-2-yl-1-benzothiophene);bis(6-propan-2-yl-1-benzothiophene);bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-indole);5-propan-2-yl-1H-isoindole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;bis(2-propan-2-ylpyrimidine);4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 161903754
1-[3-(1-benzothiophen-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-6-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-naphthalen-1-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-quinolin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 163506618

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3a,7a-dihydro-1,3-benzothiazole;tert-butylbenzene;4-tert-butyl-1,2-benzothiazole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;7-tert-butyl-1H-indole;5-tert-butylindolizine;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline?
The IUPAC name of 4-tert-butyl-3a,7a-dihydro-1,3-benzothiazole;tert-butylbenzene;4-tert-butyl-1,2-benzothiazole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;7-tert-butyl-1H-indole;5-tert-butylindolizine;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline (CID 157296347) is 4-tert-butyl-3a,7a-dihydro-1,3-benzothiazole;tert-butylbenzene;4-tert-butyl-1,2-benzothiazole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;7-tert-butyl-1H-indole;5-tert-butylindolizine;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline.
What is the SMILES notation for 4-tert-butyl-3a,7a-dihydro-1,3-benzothiazole;tert-butylbenzene;4-tert-butyl-1,2-benzothiazole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;7-tert-butyl-1H-indole;5-tert-butylindolizine;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline?
The canonical SMILES for 4-tert-butyl-3a,7a-dihydro-1,3-benzothiazole;tert-butylbenzene;4-tert-butyl-1,2-benzothiazole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;7-tert-butyl-1H-indole;5-tert-butylindolizine;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline is CC(C)(C)C1=CC=CC2SC=NC12.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2ccncc12.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2sncc12.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1nncc2ccccc12.
What is the InChIKey of 4-tert-butyl-3a,7a-dihydro-1,3-benzothiazole;tert-butylbenzene;4-tert-butyl-1,2-benzothiazole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;7-tert-butyl-1H-indole;5-tert-butylindolizine;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline?
The InChIKey is BBJVTBPZBVUVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H16.7C13H15N.C12H14N2.3C12H15N.2C11H14N2.C11H13NS.C11H15NS.C10H14.3C9H13N/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)11-10-7-5-4-6-9(10)8-13-14-11;1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10;1-11(2,3)8-5-4-6-9-10(8)12-7-13-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8/h2*4-10H,1-3H3;7*4-9H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;2*4-8,13H,1-3H3;2*4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-7,9-10H,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3.
What are the key properties of 4-tert-butyl-3a,7a-dihydro-1,3-benzothiazole;tert-butylbenzene;4-tert-butyl-1,2-benzothiazole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;7-tert-butyl-1H-indole;5-tert-butylindolizine;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline?
4-tert-butyl-3a,7a-dihydro-1,3-benzothiazole;tert-butylbenzene;4-tert-butyl-1,2-benzothiazole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;7-tert-butyl-1H-indole;5-tert-butylindolizine;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline has a molecular weight of 3644.45 g/mol, XLogP of 68.57, 0 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3a,7a-dihydro-1,3-benzothiazole;tert-butylbenzene;4-tert-butyl-1,2-benzothiazole;4-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;7-tert-butyl-1H-indole;5-tert-butylindolizine;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline is sourced from PubChem (CID 157296347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).