tert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate;tert-butyl N-[4-[[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]amino]-1-bicyclo[2.2.2]octanyl]carbamate;2-chloro-5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidine;4-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]bicyclo[2.2.2]octane-1,4-diamine

C91H107Cl4N15O10S3 — CID 163872848

IUPACtert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate;tert-butyl N-[4-[[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]amino]-1-bicyclo[2.2.2]octanyl]carbamate;2-chloro-5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidine;4-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]bicyclo[2.2.2]octane-1,4-diamine
SMILESCC(C)(C)OC(=O)NC12CCC(N)(CC1)CC2.Cc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1/C=C/c1cnc(Cl)nc1.Cc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1/C=C/c1cnc(NC23CCC(N)(CC2)CC3)nc1.Cc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1/C=C/c1cnc(NC23CCC(NC(=O)OC(C)(C)C)(CC2)CC3)nc1
InChIInChI=1S/C32H38ClN5O4S.C27H30ClN5O2S.C19H15Cl2N3O2S.C13H24N2O2/c1-22-24(11-12-25(36-22)21-43(40,41)27-8-6-5-7-26(27)33)10-9-23-19-34-28(35-20-23)37-31-13-16-32(17-14-31,18-15-31)38-29(39)42-30(2,3)4;1-19-21(8-9-22(32-19)18-36(34,35)24-5-3-2-4-23(24)28)7-6-20-16-30-25(31-17-20)33-27-13-10-26(29,11-14-27)12-15-27;1-13-15(7-6-14-10-22-19(21)23-11-14)8-9-16(24-13)12-27(25,26)18-5-3-2-4-17(18)20;1-11(2,3)17-10(16)15-13-7-4-12(14,5-8-13)6-9-13/h5-12,19-20H,13-18,21H2,1-4H3,(H,38,39)(H,34,35,37);2-9,16-17H,10-15,18,29H2,1H3,(H,30,31,33);2-11H,12H2,1H3;4-9,14H2,1-3H3,(H,15,16)/b10-9+;2*7-6+;
InChIKeyPMIIOKGHJWPAPU-SXYQAKJISA-N
MW1808.96 g/mol
LogP18.90
Rot. Bonds21

About tert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate;tert-butyl N-[4-[[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]amino]-1-bicyclo[2.2.2]octanyl]carbamate;2-chloro-5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidine;4-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]bicyclo[2.2.2]octane-1,4-diamine

tert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate;tert-butyl N-[4-[[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]amino]-1-bicyclo[2.2.2]octanyl]carbamate;2-chloro-5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidine;4-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]bicyclo[2.2.2]octane-1,4-diamine (PubChem CID 163872848) has the molecular formula C91H107Cl4N15O10S3 and a molecular weight of 1808.96 g/mol. Its IUPAC name is tert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate;tert-butyl N-[4-[[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]amino]-1-bicyclo[2.2.2]octanyl]carbamate;2-chloro-5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidine;4-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]bicyclo[2.2.2]octane-1,4-diamine.

Molecular Properties

Compound Nametert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate;tert-butyl N-[4-[[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]amino]-1-bicyclo[2.2.2]octanyl]carbamate;2-chloro-5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidine;4-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]bicyclo[2.2.2]octane-1,4-diamine
PubChem CID163872848
Molecular FormulaC91H107Cl4N15O10S3
Molecular Weight1808.96 g/mol
Exact Mass1805.62
IUPAC Nametert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate;tert-butyl N-[4-[[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]amino]-1-bicyclo[2.2.2]octanyl]carbamate;2-chloro-5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidine;4-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]bicyclo[2.2.2]octane-1,4-diamine
SMILESCC(C)(C)OC(=O)NC12CCC(N)(CC1)CC2.Cc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1/C=C/c1cnc(Cl)nc1.Cc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1/C=C/c1cnc(NC23CCC(N)(CC2)CC3)nc1.Cc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1/C=C/c1cnc(NC23CCC(NC(=O)OC(C)(C)C)(CC2)CC3)nc1
InChIInChI=1S/C32H38ClN5O4S.C27H30ClN5O2S.C19H15Cl2N3O2S.C13H24N2O2/c1-22-24(11-12-25(36-22)21-43(40,41)27-8-6-5-7-26(27)33)10-9-23-19-34-28(35-20-23)37-31-13-16-32(17-14-31,18-15-31)38-29(39)42-30(2,3)4;1-19-21(8-9-22(32-19)18-36(34,35)24-5-3-2-4-23(24)28)7-6-20-16-30-25(31-17-20)33-27-13-10-26(29,11-14-27)12-15-27;1-13-15(7-6-14-10-22-19(21)23-11-14)8-9-16(24-13)12-27(25,26)18-5-3-2-4-17(18)20;1-11(2,3)17-10(16)15-13-7-4-12(14,5-8-13)6-9-13/h5-12,19-20H,13-18,21H2,1-4H3,(H,38,39)(H,34,35,37);2-9,16-17H,10-15,18,29H2,1H3,(H,30,31,33);2-11H,12H2,1H3;4-9,14H2,1-3H3,(H,15,16)/b10-9+;2*7-6+;
InChIKeyPMIIOKGHJWPAPU-SXYQAKJISA-N
XLogP18.90
TPSA371.19 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001808.96
LogP ≤ 518.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze tert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate;tert-butyl N-[4-[[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]amino]-1-bicyclo[2.2.2]octanyl]carbamate;2-chloro-5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidine;4-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]bicyclo[2.2.2]octane-1,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (3S,5S)-3-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-methylpyrido[3,2-d]pyrimidin-2-yl]amino]-5-fluoropiperidine-1-carboxylate
CID 165074588
tert-butyl N-[4-[[4-[4-[4-[(2-chlorophenyl)sulfonylamino]-2-fluorophenyl]sulfanyl-3-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate
CID 172263632
tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;tert-butyl formate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;methane;4-N-methylcyclohexane-1,4-diamine
CID 159004089
1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-tert-butylurea;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-3-prop-2-enylurea;4-N-[3-(4-amino-2-fluorophenyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(6-amino-3-pyridinyl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;ethyl N-[[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]carbamoyl]carbamate
CID 159257311
tert-butyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[5-chloro-4-(2-ethylsulfonylanilino)pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxylate;5-chloro-4-N-(2-ethylsulfonylphenyl)-2-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;2,5-dichloro-N-(2-ethylsulfonylphenyl)pyrimidin-4-amine;2-ethylsulfonylaniline;2,4,5-trichloropyrimidine
CID 159580675
tert-butyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[[5-chloro-4-(2-ethylsulfonylanilino)pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxylate;5-chloro-4-N-(2-ethylsulfonylphenyl)-2-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;2,5-dichloro-N-(2-ethylsulfonylphenyl)pyrimidin-4-amine;ethylsulfonylbenzene;2,4,5-trichloropyrimidine
CID 161337812
tert-butyl N-(4-aminocyclohexyl)-N-methylcarbamate;tert-butyl N-[4-[[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]amino]cyclohexyl]-N-methylcarbamate;6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethyl-2-fluoroquinazoline;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine
CID 162240629
tert-butyl N-[4-[[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylamino]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]amino]-1-bicyclo[2.2.2]octanyl]carbamate
CID 162703940
2-chloro-5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidine;4-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]cyclohexane-1,4-diamine;cyclohexane-1,4-diamine
CID 163449119
tert-butyl N-[4-[[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]amino]cyclohexyl]-N-methylcarbamate;2-chloro-5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidine;5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]-N-(4-ethylcyclohexyl)pyrimidin-2-amine;cyclohexane-1,4-diamine
CID 163616876
butan-1-ol;2-chloro-5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidine;1-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 163699280
acetaldehyde;2-chloro-5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidine;1-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]-4-N,4-N-diethylcyclohexane-1,4-diamine;4-N,4-N-diethylcyclohexane-1,4-diamine;N,N-diethyl-4-methylcyclohexan-1-amine;4-methylcyclohexan-1-amine
CID 163714743

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate;tert-butyl N-[4-[[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]amino]-1-bicyclo[2.2.2]octanyl]carbamate;2-chloro-5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidine;4-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]bicyclo[2.2.2]octane-1,4-diamine?
The IUPAC name of tert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate;tert-butyl N-[4-[[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]amino]-1-bicyclo[2.2.2]octanyl]carbamate;2-chloro-5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidine;4-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]bicyclo[2.2.2]octane-1,4-diamine (CID 163872848) is tert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate;tert-butyl N-[4-[[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]amino]-1-bicyclo[2.2.2]octanyl]carbamate;2-chloro-5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidine;4-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]bicyclo[2.2.2]octane-1,4-diamine.
What is the SMILES notation for tert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate;tert-butyl N-[4-[[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]amino]-1-bicyclo[2.2.2]octanyl]carbamate;2-chloro-5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidine;4-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]bicyclo[2.2.2]octane-1,4-diamine?
The canonical SMILES for tert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate;tert-butyl N-[4-[[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]amino]-1-bicyclo[2.2.2]octanyl]carbamate;2-chloro-5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidine;4-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]bicyclo[2.2.2]octane-1,4-diamine is CC(C)(C)OC(=O)NC12CCC(N)(CC1)CC2.Cc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1/C=C/c1cnc(Cl)nc1.Cc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1/C=C/c1cnc(NC23CCC(N)(CC2)CC3)nc1.Cc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1/C=C/c1cnc(NC23CCC(NC(=O)OC(C)(C)C)(CC2)CC3)nc1.
What is the InChIKey of tert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate;tert-butyl N-[4-[[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]amino]-1-bicyclo[2.2.2]octanyl]carbamate;2-chloro-5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidine;4-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]bicyclo[2.2.2]octane-1,4-diamine?
The InChIKey is PMIIOKGHJWPAPU-SXYQAKJISA-N. The full InChI is InChI=1S/C32H38ClN5O4S.C27H30ClN5O2S.C19H15Cl2N3O2S.C13H24N2O2/c1-22-24(11-12-25(36-22)21-43(40,41)27-8-6-5-7-26(27)33)10-9-23-19-34-28(35-20-23)37-31-13-16-32(17-14-31,18-15-31)38-29(39)42-30(2,3)4;1-19-21(8-9-22(32-19)18-36(34,35)24-5-3-2-4-23(24)28)7-6-20-16-30-25(31-17-20)33-27-13-10-26(29,11-14-27)12-15-27;1-13-15(7-6-14-10-22-19(21)23-11-14)8-9-16(24-13)12-27(25,26)18-5-3-2-4-17(18)20;1-11(2,3)17-10(16)15-13-7-4-12(14,5-8-13)6-9-13/h5-12,19-20H,13-18,21H2,1-4H3,(H,38,39)(H,34,35,37);2-9,16-17H,10-15,18,29H2,1H3,(H,30,31,33);2-11H,12H2,1H3;4-9,14H2,1-3H3,(H,15,16)/b10-9+;2*7-6+;.
What are the key properties of tert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate;tert-butyl N-[4-[[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]amino]-1-bicyclo[2.2.2]octanyl]carbamate;2-chloro-5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidine;4-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]bicyclo[2.2.2]octane-1,4-diamine?
tert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate;tert-butyl N-[4-[[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]amino]-1-bicyclo[2.2.2]octanyl]carbamate;2-chloro-5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidine;4-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]bicyclo[2.2.2]octane-1,4-diamine has a molecular weight of 1808.96 g/mol, XLogP of 18.90, 21 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate;tert-butyl N-[4-[[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]amino]-1-bicyclo[2.2.2]octanyl]carbamate;2-chloro-5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidine;4-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]ethenyl]pyrimidin-2-yl]bicyclo[2.2.2]octane-1,4-diamine is sourced from PubChem (CID 163872848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).