2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;4-[4-[(Z)-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(5Z)-5-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(3Z)-3-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]prop-1-enyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;5-chloro-2-[3-(5-chloro-1-ethyl-3,3-dimethyl-2H-indol-2-yl)prop-2-enylidene]-1-ethyl-3,3-dimethylindole;N,3-dimethyl-1,3-benzothiazol-2-imine;ethyl sulfate;4-[(5Z)-5-[3-[6-hydroxy-2-[4-(hydroxymethoxy)phenyl]-4-methyl-3-oxo-7,7a-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]prop-2-enylidene]-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;methane

C177H175Cl3N27O34S2- — CID 159475095

About 2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;4-[4-[(Z)-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(5Z)-5-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(3Z)-3-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]prop-1-enyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;5-chloro-2-[3-(5-chloro-1-ethyl-3,3-dimethyl-2H-indol-2-yl)prop-2-enylidene]-1-ethyl-3,3-dimethylindole;N,3-dimethyl-1,3-benzothiazol-2-imine;ethyl sulfate;4-[(5Z)-5-[3-[6-hydroxy-2-[4-(hydroxymethoxy)phenyl]-4-methyl-3-oxo-7,7a-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]prop-2-enylidene]-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;methane

2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;4-[4-[(Z)-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(5Z)-5-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(3Z)-3-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]prop-1-enyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;5-chloro-2-[3-(5-chloro-1-ethyl-3,3-dimethyl-2H-indol-2-yl)prop-2-enylidene]-1-ethyl-3,3-dimethylindole;N,3-dimethyl-1,3-benzothiazol-2-imine;ethyl sulfate;4-[(5Z)-5-[3-[6-hydroxy-2-[4-(hydroxymethoxy)phenyl]-4-methyl-3-oxo-7,7a-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]prop-2-enylidene]-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;methane (PubChem CID 159475095) has the molecular formula C177H175Cl3N27O34S2- and a molecular weight of 3394.99 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;4-[4-[(Z)-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(5Z)-5-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(3Z)-3-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]prop-1-enyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;5-chloro-2-[3-(5-chloro-1-ethyl-3,3-dimethyl-2H-indol-2-yl)prop-2-enylidene]-1-ethyl-3,3-dimethylindole;N,3-dimethyl-1,3-benzothiazol-2-imine;ethyl sulfate;4-[(5Z)-5-[3-[6-hydroxy-2-[4-(hydroxymethoxy)phenyl]-4-methyl-3-oxo-7,7a-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]prop-2-enylidene]-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;methane.

Molecular Properties

• Compound Name: 2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;4-[4-[(Z)-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(5Z)-5-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(3Z)-3-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]prop-1-enyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;5-chloro-2-[3-(5-chloro-1-ethyl-3,3-dimethyl-2H-indol-2-yl)prop-2-enylidene]-1-ethyl-3,3-dimethylindole;N,3-dimethyl-1,3-benzothiazol-2-imine;ethyl sulfate;4-[(5Z)-5-[3-[6-hydroxy-2-[4-(hydroxymethoxy)phenyl]-4-methyl-3-oxo-7,7a-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]prop-2-enylidene]-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;methane
• PubChem CID: 159475095
• Molecular Formula: C177H175Cl3N27O34S2-
• Molecular Weight: 3394.99 g/mol
• Exact Mass: 3391.13
• IUPAC Name: 2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;4-[4-[(Z)-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(5Z)-5-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(3Z)-3-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]prop-1-enyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;5-chloro-2-[3-(5-chloro-1-ethyl-3,3-dimethyl-2H-indol-2-yl)prop-2-enylidene]-1-ethyl-3,3-dimethylindole;N,3-dimethyl-1,3-benzothiazol-2-imine;ethyl sulfate;4-[(5Z)-5-[3-[6-hydroxy-2-[4-(hydroxymethoxy)phenyl]-4-methyl-3-oxo-7,7a-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]prop-2-enylidene]-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;methane
• SMILES: C.C.C/N=c1\sc2ccccc2n1C.CC1=C2C(=O)N(c3ccc(OCO)cc3)NC2NC(O)=C1C=C/C=c1/c(C)c2c([nH]c1=O)=NN(c1ccc(C(=O)O)cc1)C2=O.CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\C=CC=Cc1c(C)[nH]n(-c2ccc(C(=O)O)cc2)c1=O.CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\C=Cc1c(C)[nH]n(-c2ccc(C(=O)O)cc2)c1=O.CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1c(C)[nH]n(-c2ccc(C(=O)O)cc2)c1=O.CCN1C(=CC=CC2N(CC)c3ccc(Cl)cc3C2(C)C)C(C)(C)c2cc(Cl)ccc21.CCOS(=O)(=O)[O-].Cc1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)n3nnc4ccccc43)c2)c(C)c1
• InChI: InChI=1S/C31H34ClN5O4.C31H26N6O8.C27H32Cl2N2.C27H22N4O6.C25H20N4O6.C23H18N4O6.C9H10N2S.C2H6O4S.2CH4/c1-19-12-15-26(20(2)17-19)41-16-8-11-27(38)33-21-13-14-22(32)24(18-21)34-30(40)28(29(39)31(3,4)5)37-25-10-7-6-9-23(25)35-36-37;1-15-21(27(39)32-25-23(15)29(41)36(34-25)18-8-6-17(7-9-18)31(43)44)4-3-5-22-16(2)24-26(33-28(22)40)35-37(30(24)42)19-10-12-20(13-11-19)45-14-38;1-7-30-22-14-12-18(28)16-20(22)26(3,4)24(30)10-9-11-25-27(5,6)21-17-19(29)13-15-23(21)31(25)8-2;1-16-22(24(32)30(28-16)20-12-8-18(9-13-20)26(34)35)6-4-3-5-7-23-17(2)29-31(25(23)33)21-14-10-19(11-15-21)27(36)37;1-14-20(22(30)28(26-14)18-10-6-16(7-11-18)24(32)33)4-3-5-21-15(2)27-29(23(21)31)19-12-8-17(9-13-19)25(34)35;1-12-18(20(28)26(24-12)16-7-3-14(4-8-16)22(30)31)11-19-13(2)25-27(21(19)29)17-9-5-15(6-10-17)23(32)33;1-10-9-11(2)7-5-3-4-6-8(7)12-9;1-2-6-7(3,4)5;;/h6-7,9-10,12-15,17-18,28H,8,11,16H2,1-5H3,(H,33,38)(H,34,40);3-13,26,33,35,38,40H,14H2,1-2H3,(H,43,44)(H,32,34,39);9-17,24H,7-8H2,1-6H3;3-15,28H,1-2H3,(H,34,35)(H,36,37);3-13,26H,1-2H3,(H,32,33)(H,34,35);3-11,24H,1-2H3,(H,30,31)(H,32,33);3-6H,1-2H3;2H2,1H3,(H,3,4,5);2*1H4/p-1/b;5-3?,21-4-;;5-3?,6-4?,23-7-;4-3?,21-5-;19-11-;10-9-
• InChIKey: GFUVOUJONVHHFY-QRAIQMOTSA-M
• XLogP: 27.06
• TPSA: 837.48 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 44
• Rotatable Bonds: 41
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3394.99
LogP ≤ 5	27.06
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;4-[4-[(Z)-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(5Z)-5-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(3Z)-3-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]prop-1-enyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;5-chloro-2-[3-(5-chloro-1-ethyl-3,3-dimethyl-2H-indol-2-yl)prop-2-enylidene]-1-ethyl-3,3-dimethylindole;N,3-dimethyl-1,3-benzothiazol-2-imine;ethyl sulfate;4-[(5Z)-5-[3-[6-hydroxy-2-[4-(hydroxymethoxy)phenyl]-4-methyl-3-oxo-7,7a-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]prop-2-enylidene]-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;methane?

The IUPAC name of 2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;4-[4-[(Z)-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(5Z)-5-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(3Z)-3-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]prop-1-enyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;5-chloro-2-[3-(5-chloro-1-ethyl-3,3-dimethyl-2H-indol-2-yl)prop-2-enylidene]-1-ethyl-3,3-dimethylindole;N,3-dimethyl-1,3-benzothiazol-2-imine;ethyl sulfate;4-[(5Z)-5-[3-[6-hydroxy-2-[4-(hydroxymethoxy)phenyl]-4-methyl-3-oxo-7,7a-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]prop-2-enylidene]-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;methane (CID 159475095) is 2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;4-[4-[(Z)-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(5Z)-5-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(3Z)-3-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]prop-1-enyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;5-chloro-2-[3-(5-chloro-1-ethyl-3,3-dimethyl-2H-indol-2-yl)prop-2-enylidene]-1-ethyl-3,3-dimethylindole;N,3-dimethyl-1,3-benzothiazol-2-imine;ethyl sulfate;4-[(5Z)-5-[3-[6-hydroxy-2-[4-(hydroxymethoxy)phenyl]-4-methyl-3-oxo-7,7a-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]prop-2-enylidene]-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;methane.

What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;4-[4-[(Z)-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(5Z)-5-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(3Z)-3-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]prop-1-enyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;5-chloro-2-[3-(5-chloro-1-ethyl-3,3-dimethyl-2H-indol-2-yl)prop-2-enylidene]-1-ethyl-3,3-dimethylindole;N,3-dimethyl-1,3-benzothiazol-2-imine;ethyl sulfate;4-[(5Z)-5-[3-[6-hydroxy-2-[4-(hydroxymethoxy)phenyl]-4-methyl-3-oxo-7,7a-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]prop-2-enylidene]-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;methane?

The canonical SMILES for 2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;4-[4-[(Z)-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(5Z)-5-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(3Z)-3-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]prop-1-enyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;5-chloro-2-[3-(5-chloro-1-ethyl-3,3-dimethyl-2H-indol-2-yl)prop-2-enylidene]-1-ethyl-3,3-dimethylindole;N,3-dimethyl-1,3-benzothiazol-2-imine;ethyl sulfate;4-[(5Z)-5-[3-[6-hydroxy-2-[4-(hydroxymethoxy)phenyl]-4-methyl-3-oxo-7,7a-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]prop-2-enylidene]-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;methane is C.C.C/N=c1\sc2ccccc2n1C.CC1=C2C(=O)N(c3ccc(OCO)cc3)NC2NC(O)=C1C=C/C=c1/c(C)c2c([nH]c1=O)=NN(c1ccc(C(=O)O)cc1)C2=O.CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\C=CC=Cc1c(C)[nH]n(-c2ccc(C(=O)O)cc2)c1=O.CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\C=Cc1c(C)[nH]n(-c2ccc(C(=O)O)cc2)c1=O.CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1c(C)[nH]n(-c2ccc(C(=O)O)cc2)c1=O.CCN1C(=CC=CC2N(CC)c3ccc(Cl)cc3C2(C)C)C(C)(C)c2cc(Cl)ccc21.CCOS(=O)(=O)[O-].Cc1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)n3nnc4ccccc43)c2)c(C)c1.

What is the InChIKey of 2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;4-[4-[(Z)-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(5Z)-5-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(3Z)-3-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]prop-1-enyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;5-chloro-2-[3-(5-chloro-1-ethyl-3,3-dimethyl-2H-indol-2-yl)prop-2-enylidene]-1-ethyl-3,3-dimethylindole;N,3-dimethyl-1,3-benzothiazol-2-imine;ethyl sulfate;4-[(5Z)-5-[3-[6-hydroxy-2-[4-(hydroxymethoxy)phenyl]-4-methyl-3-oxo-7,7a-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]prop-2-enylidene]-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;methane?

The InChIKey is GFUVOUJONVHHFY-QRAIQMOTSA-M. The full InChI is InChI=1S/C31H34ClN5O4.C31H26N6O8.C27H32Cl2N2.C27H22N4O6.C25H20N4O6.C23H18N4O6.C9H10N2S.C2H6O4S.2CH4/c1-19-12-15-26(20(2)17-19)41-16-8-11-27(38)33-21-13-14-22(32)24(18-21)34-30(40)28(29(39)31(3,4)5)37-25-10-7-6-9-23(25)35-36-37;1-15-21(27(39)32-25-23(15)29(41)36(34-25)18-8-6-17(7-9-18)31(43)44)4-3-5-22-16(2)24-26(33-28(22)40)35-37(30(24)42)19-10-12-20(13-11-19)45-14-38;1-7-30-22-14-12-18(28)16-20(22)26(3,4)24(30)10-9-11-25-27(5,6)21-17-19(29)13-15-23(21)31(25)8-2;1-16-22(24(32)30(28-16)20-12-8-18(9-13-20)26(34)35)6-4-3-5-7-23-17(2)29-31(25(23)33)21-14-10-19(11-15-21)27(36)37;1-14-20(22(30)28(26-14)18-10-6-16(7-11-18)24(32)33)4-3-5-21-15(2)27-29(23(21)31)19-12-8-17(9-13-19)25(34)35;1-12-18(20(28)26(24-12)16-7-3-14(4-8-16)22(30)31)11-19-13(2)25-27(21(19)29)17-9-5-15(6-10-17)23(32)33;1-10-9-11(2)7-5-3-4-6-8(7)12-9;1-2-6-7(3,4)5;;/h6-7,9-10,12-15,17-18,28H,8,11,16H2,1-5H3,(H,33,38)(H,34,40);3-13,26,33,35,38,40H,14H2,1-2H3,(H,43,44)(H,32,34,39);9-17,24H,7-8H2,1-6H3;3-15,28H,1-2H3,(H,34,35)(H,36,37);3-13,26H,1-2H3,(H,32,33)(H,34,35);3-11,24H,1-2H3,(H,30,31)(H,32,33);3-6H,1-2H3;2H2,1H3,(H,3,4,5);2*1H4/p-1/b;5-3?,21-4-;;5-3?,6-4?,23-7-;4-3?,21-5-;19-11-;10-9-;;;.

What are the key properties of 2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;4-[4-[(Z)-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(5Z)-5-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(3Z)-3-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]prop-1-enyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;5-chloro-2-[3-(5-chloro-1-ethyl-3,3-dimethyl-2H-indol-2-yl)prop-2-enylidene]-1-ethyl-3,3-dimethylindole;N,3-dimethyl-1,3-benzothiazol-2-imine;ethyl sulfate;4-[(5Z)-5-[3-[6-hydroxy-2-[4-(hydroxymethoxy)phenyl]-4-methyl-3-oxo-7,7a-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]prop-2-enylidene]-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;methane?

2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;4-[4-[(Z)-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(5Z)-5-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(3Z)-3-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]prop-1-enyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;5-chloro-2-[3-(5-chloro-1-ethyl-3,3-dimethyl-2H-indol-2-yl)prop-2-enylidene]-1-ethyl-3,3-dimethylindole;N,3-dimethyl-1,3-benzothiazol-2-imine;ethyl sulfate;4-[(5Z)-5-[3-[6-hydroxy-2-[4-(hydroxymethoxy)phenyl]-4-methyl-3-oxo-7,7a-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]prop-2-enylidene]-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;methane has a molecular weight of 3394.99 g/mol, XLogP of 27.06, 41 rotatable bonds, 17 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzotriazol-1-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;4-[4-[(Z)-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(5Z)-5-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;4-[4-[(3Z)-3-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]prop-1-enyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid;5-chloro-2-[3-(5-chloro-1-ethyl-3,3-dimethyl-2H-indol-2-yl)prop-2-enylidene]-1-ethyl-3,3-dimethylindole;N,3-dimethyl-1,3-benzothiazol-2-imine;ethyl sulfate;4-[(5Z)-5-[3-[6-hydroxy-2-[4-(hydroxymethoxy)phenyl]-4-methyl-3-oxo-7,7a-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]prop-2-enylidene]-4-methyl-3,6-dioxo-7H-pyrazolo[3,4-b]pyridin-2-yl]benzoic acid;methane is sourced from PubChem (CID 159475095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).