1-bromo-4-[(2-chlorophenyl)sulfonylmethyl]-2-methylbenzene;tert-butyl N-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[(E)-2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethenyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;4-[(2-chlorophenyl)sulfonylmethyl]-1-ethenyl-2-methylbenzene;4-N-[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]cyclohexane-1,4-diamine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydrazine;2-nitrobenzenethiol;dihydrate

C147H185BBr2Cl5N19O22S6 — CID 163615519

IUPAC1-bromo-4-[(2-chlorophenyl)sulfonylmethyl]-2-methylbenzene;tert-butyl N-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[(E)-2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethenyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;4-[(2-chlorophenyl)sulfonylmethyl]-1-ethenyl-2-methylbenzene;4-N-[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]cyclohexane-1,4-diamine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydrazine;2-nitrobenzenethiol;dihydrate
SMILESC=CB1OC(C)(C)C(C)(C)O1.C=Cc1ccc(CS(=O)(=O)c2ccccc2Cl)cc1C.CC(C)(C)OC(=O)NC1CCC(Nc2ncc(Br)cn2)CC1.Cc1cc(CS(=O)(=O)c2ccccc2Cl)ccc1/C=C/c1cnc(NC2CCC(NC(=O)OC(C)(C)C)CC2)nc1.Cc1cc(CS(=O)(=O)c2ccccc2Cl)ccc1Br.Cc1cc(CS(=O)(=O)c2ccccc2Cl)ccc1CCc1cnc(NC2CCC(N)CC2)nc1.Cc1cc(CS(=O)(=O)c2ccccc2Cl)ccc1CCc1cnc(NC2CCC(NC(=O)OC(C)(C)C)CC2)nc1.NN.O.O.O=[N+]([O-])c1ccccc1S
InChIInChI=1S/C31H39ClN4O4S.C31H37ClN4O4S.C26H31ClN4O2S.C16H15ClO2S.C15H23BrN4O2.C14H12BrClO2S.C8H15BO2.C6H5NO2S.H4N2.2H2O/c2*1-21-17-22(20-41(38,39)28-8-6-5-7-27(28)32)9-11-24(21)12-10-23-18-33-29(34-19-23)35-25-13-15-26(16-14-25)36-30(37)40-31(2,3)4;1-18-14-19(17-34(32,33)25-5-3-2-4-24(25)27)6-8-21(18)9-7-20-15-29-26(30-16-20)31-23-12-10-22(28)11-13-23;1-3-14-9-8-13(10-12(14)2)11-20(18,19)16-7-5-4-6-15(16)17;1-15(2,3)22-14(21)20-12-6-4-11(5-7-12)19-13-17-8-10(16)9-18-13;1-10-8-11(6-7-12(10)15)9-19(17,18)14-5-3-2-4-13(14)16;1-6-9-10-7(2,3)8(4,5)11-9;8-7(9)5-3-1-2-4-6(5)10;1-2;;/h5-9,11,17-19,25-26H,10,12-16,20H2,1-4H3,(H,36,37)(H,33,34,35);5-12,17-19,25-26H,13-16,20H2,1-4H3,(H,36,37)(H,33,34,35);2-6,8,14-16,22-23H,7,9-13,17,28H2,1H3,(H,29,30,31);3-10H,1,11H2,2H3;8-9,11-12H,4-7H2,1-3H3,(H,20,21)(H,17,18,19);2-8H,9H2,1H3;6H,1H2,2-5H3;1-4,10H;1-2H2;2*1H2/b;12-10+;;;;;;;;;
InChIKeyLJQGPLBNRSPFMN-GJDLAXPBSA-N
MW3110.49 g/mol
LogP31.15
Rot. Bonds37

About 1-bromo-4-[(2-chlorophenyl)sulfonylmethyl]-2-methylbenzene;tert-butyl N-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[(E)-2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethenyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;4-[(2-chlorophenyl)sulfonylmethyl]-1-ethenyl-2-methylbenzene;4-N-[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]cyclohexane-1,4-diamine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydrazine;2-nitrobenzenethiol;dihydrate

1-bromo-4-[(2-chlorophenyl)sulfonylmethyl]-2-methylbenzene;tert-butyl N-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[(E)-2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethenyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;4-[(2-chlorophenyl)sulfonylmethyl]-1-ethenyl-2-methylbenzene;4-N-[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]cyclohexane-1,4-diamine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydrazine;2-nitrobenzenethiol;dihydrate (PubChem CID 163615519) has the molecular formula C147H185BBr2Cl5N19O22S6 and a molecular weight of 3110.49 g/mol. Its IUPAC name is 1-bromo-4-[(2-chlorophenyl)sulfonylmethyl]-2-methylbenzene;tert-butyl N-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[(E)-2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethenyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;4-[(2-chlorophenyl)sulfonylmethyl]-1-ethenyl-2-methylbenzene;4-N-[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]cyclohexane-1,4-diamine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydrazine;2-nitrobenzenethiol;dihydrate.

Molecular Properties

Compound Name1-bromo-4-[(2-chlorophenyl)sulfonylmethyl]-2-methylbenzene;tert-butyl N-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[(E)-2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethenyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;4-[(2-chlorophenyl)sulfonylmethyl]-1-ethenyl-2-methylbenzene;4-N-[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]cyclohexane-1,4-diamine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydrazine;2-nitrobenzenethiol;dihydrate
PubChem CID163615519
Molecular FormulaC147H185BBr2Cl5N19O22S6
Molecular Weight3110.49 g/mol
Exact Mass3103.92
IUPAC Name1-bromo-4-[(2-chlorophenyl)sulfonylmethyl]-2-methylbenzene;tert-butyl N-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[(E)-2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethenyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;4-[(2-chlorophenyl)sulfonylmethyl]-1-ethenyl-2-methylbenzene;4-N-[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]cyclohexane-1,4-diamine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydrazine;2-nitrobenzenethiol;dihydrate
SMILESC=CB1OC(C)(C)C(C)(C)O1.C=Cc1ccc(CS(=O)(=O)c2ccccc2Cl)cc1C.CC(C)(C)OC(=O)NC1CCC(Nc2ncc(Br)cn2)CC1.Cc1cc(CS(=O)(=O)c2ccccc2Cl)ccc1/C=C/c1cnc(NC2CCC(NC(=O)OC(C)(C)C)CC2)nc1.Cc1cc(CS(=O)(=O)c2ccccc2Cl)ccc1Br.Cc1cc(CS(=O)(=O)c2ccccc2Cl)ccc1CCc1cnc(NC2CCC(N)CC2)nc1.Cc1cc(CS(=O)(=O)c2ccccc2Cl)ccc1CCc1cnc(NC2CCC(NC(=O)OC(C)(C)C)CC2)nc1.NN.O.O.O=[N+]([O-])c1ccccc1S
InChIInChI=1S/C31H39ClN4O4S.C31H37ClN4O4S.C26H31ClN4O2S.C16H15ClO2S.C15H23BrN4O2.C14H12BrClO2S.C8H15BO2.C6H5NO2S.H4N2.2H2O/c2*1-21-17-22(20-41(38,39)28-8-6-5-7-27(28)32)9-11-24(21)12-10-23-18-33-29(34-19-23)35-25-13-15-26(16-14-25)36-30(37)40-31(2,3)4;1-18-14-19(17-34(32,33)25-5-3-2-4-24(25)27)6-8-21(18)9-7-20-15-29-26(30-16-20)31-23-12-10-22(28)11-13-23;1-3-14-9-8-13(10-12(14)2)11-20(18,19)16-7-5-4-6-15(16)17;1-15(2,3)22-14(21)20-12-6-4-11(5-7-12)19-13-17-8-10(16)9-18-13;1-10-8-11(6-7-12(10)15)9-19(17,18)14-5-3-2-4-13(14)16;1-6-9-10-7(2,3)8(4,5)11-9;8-7(9)5-3-1-2-4-6(5)10;1-2;;/h5-9,11,17-19,25-26H,10,12-16,20H2,1-4H3,(H,36,37)(H,33,34,35);5-12,17-19,25-26H,13-16,20H2,1-4H3,(H,36,37)(H,33,34,35);2-6,8,14-16,22-23H,7,9-13,17,28H2,1H3,(H,29,30,31);3-10H,1,11H2,2H3;8-9,11-12H,4-7H2,1-3H3,(H,20,21)(H,17,18,19);2-8H,9H2,1H3;6H,1H2,2-5H3;1-4,10H;1-2H2;2*1H2/b;12-10+;;;;;;;;;
InChIKeyLJQGPLBNRSPFMN-GJDLAXPBSA-N
XLogP31.15
TPSA639.59 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds37
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003110.49
LogP ≤ 531.15
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-bromo-4-[(2-chlorophenyl)sulfonylmethyl]-2-methylbenzene;tert-butyl N-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[(E)-2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethenyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;4-[(2-chlorophenyl)sulfonylmethyl]-1-ethenyl-2-methylbenzene;4-N-[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]cyclohexane-1,4-diamine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydrazine;2-nitrobenzenethiol;dihydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(2-chlorophenyl)sulfonylmethyl]-2-methylbenzene;tert-butyl N-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[(E)-2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethenyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;4-[(2-chlorophenyl)sulfonylmethyl]-1-ethenyl-2-methylbenzene;4-N-[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]cyclohexane-1,4-diamine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydrazine;2-nitrobenzenethiol;dihydrate?
The IUPAC name of 1-bromo-4-[(2-chlorophenyl)sulfonylmethyl]-2-methylbenzene;tert-butyl N-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[(E)-2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethenyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;4-[(2-chlorophenyl)sulfonylmethyl]-1-ethenyl-2-methylbenzene;4-N-[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]cyclohexane-1,4-diamine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydrazine;2-nitrobenzenethiol;dihydrate (CID 163615519) is 1-bromo-4-[(2-chlorophenyl)sulfonylmethyl]-2-methylbenzene;tert-butyl N-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[(E)-2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethenyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;4-[(2-chlorophenyl)sulfonylmethyl]-1-ethenyl-2-methylbenzene;4-N-[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]cyclohexane-1,4-diamine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydrazine;2-nitrobenzenethiol;dihydrate.
What is the SMILES notation for 1-bromo-4-[(2-chlorophenyl)sulfonylmethyl]-2-methylbenzene;tert-butyl N-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[(E)-2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethenyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;4-[(2-chlorophenyl)sulfonylmethyl]-1-ethenyl-2-methylbenzene;4-N-[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]cyclohexane-1,4-diamine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydrazine;2-nitrobenzenethiol;dihydrate?
The canonical SMILES for 1-bromo-4-[(2-chlorophenyl)sulfonylmethyl]-2-methylbenzene;tert-butyl N-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[(E)-2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethenyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;4-[(2-chlorophenyl)sulfonylmethyl]-1-ethenyl-2-methylbenzene;4-N-[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]cyclohexane-1,4-diamine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydrazine;2-nitrobenzenethiol;dihydrate is C=CB1OC(C)(C)C(C)(C)O1.C=Cc1ccc(CS(=O)(=O)c2ccccc2Cl)cc1C.CC(C)(C)OC(=O)NC1CCC(Nc2ncc(Br)cn2)CC1.Cc1cc(CS(=O)(=O)c2ccccc2Cl)ccc1/C=C/c1cnc(NC2CCC(NC(=O)OC(C)(C)C)CC2)nc1.Cc1cc(CS(=O)(=O)c2ccccc2Cl)ccc1Br.Cc1cc(CS(=O)(=O)c2ccccc2Cl)ccc1CCc1cnc(NC2CCC(N)CC2)nc1.Cc1cc(CS(=O)(=O)c2ccccc2Cl)ccc1CCc1cnc(NC2CCC(NC(=O)OC(C)(C)C)CC2)nc1.NN.O.O.O=[N+]([O-])c1ccccc1S.
What is the InChIKey of 1-bromo-4-[(2-chlorophenyl)sulfonylmethyl]-2-methylbenzene;tert-butyl N-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[(E)-2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethenyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;4-[(2-chlorophenyl)sulfonylmethyl]-1-ethenyl-2-methylbenzene;4-N-[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]cyclohexane-1,4-diamine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydrazine;2-nitrobenzenethiol;dihydrate?
The InChIKey is LJQGPLBNRSPFMN-GJDLAXPBSA-N. The full InChI is InChI=1S/C31H39ClN4O4S.C31H37ClN4O4S.C26H31ClN4O2S.C16H15ClO2S.C15H23BrN4O2.C14H12BrClO2S.C8H15BO2.C6H5NO2S.H4N2.2H2O/c2*1-21-17-22(20-41(38,39)28-8-6-5-7-27(28)32)9-11-24(21)12-10-23-18-33-29(34-19-23)35-25-13-15-26(16-14-25)36-30(37)40-31(2,3)4;1-18-14-19(17-34(32,33)25-5-3-2-4-24(25)27)6-8-21(18)9-7-20-15-29-26(30-16-20)31-23-12-10-22(28)11-13-23;1-3-14-9-8-13(10-12(14)2)11-20(18,19)16-7-5-4-6-15(16)17;1-15(2,3)22-14(21)20-12-6-4-11(5-7-12)19-13-17-8-10(16)9-18-13;1-10-8-11(6-7-12(10)15)9-19(17,18)14-5-3-2-4-13(14)16;1-6-9-10-7(2,3)8(4,5)11-9;8-7(9)5-3-1-2-4-6(5)10;1-2;;/h5-9,11,17-19,25-26H,10,12-16,20H2,1-4H3,(H,36,37)(H,33,34,35);5-12,17-19,25-26H,13-16,20H2,1-4H3,(H,36,37)(H,33,34,35);2-6,8,14-16,22-23H,7,9-13,17,28H2,1H3,(H,29,30,31);3-10H,1,11H2,2H3;8-9,11-12H,4-7H2,1-3H3,(H,20,21)(H,17,18,19);2-8H,9H2,1H3;6H,1H2,2-5H3;1-4,10H;1-2H2;2*1H2/b;12-10+;;;;;;;;;.
What are the key properties of 1-bromo-4-[(2-chlorophenyl)sulfonylmethyl]-2-methylbenzene;tert-butyl N-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[(E)-2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethenyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;4-[(2-chlorophenyl)sulfonylmethyl]-1-ethenyl-2-methylbenzene;4-N-[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]cyclohexane-1,4-diamine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydrazine;2-nitrobenzenethiol;dihydrate?
1-bromo-4-[(2-chlorophenyl)sulfonylmethyl]-2-methylbenzene;tert-butyl N-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[(E)-2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethenyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;4-[(2-chlorophenyl)sulfonylmethyl]-1-ethenyl-2-methylbenzene;4-N-[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]cyclohexane-1,4-diamine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydrazine;2-nitrobenzenethiol;dihydrate has a molecular weight of 3110.49 g/mol, XLogP of 31.15, 37 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(2-chlorophenyl)sulfonylmethyl]-2-methylbenzene;tert-butyl N-[4-[(5-bromopyrimidin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[(E)-2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethenyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]amino]cyclohexyl]carbamate;4-[(2-chlorophenyl)sulfonylmethyl]-1-ethenyl-2-methylbenzene;4-N-[5-[2-[4-[(2-chlorophenyl)sulfonylmethyl]-2-methylphenyl]ethyl]pyrimidin-2-yl]cyclohexane-1,4-diamine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydrazine;2-nitrobenzenethiol;dihydrate is sourced from PubChem (CID 163615519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).