sodium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;amino(hydroxy)azanide;6-bromo-7-chloro-8-fluoro-1H-quinazoline-2,4-dione;3-bromo-2-fluoroaniline;6-bromo-7-fluoro-1H-indole-2,3-dione;1-bromo-2-fluoro-3-nitrobenzene;(2E)-N-(3-bromo-2-fluorophenyl)-2-hydroxyiminoacetamide;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl (2R,6S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate;deuterio(fluoro)methane;2-(diethylamino)ethanol;ethane-1,1-diol;methane;urea

C99H109Br9Cl7F10N22NaO21 — CID 172965853

IUPACsodium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;amino(hydroxy)azanide;6-bromo-7-chloro-8-fluoro-1H-quinazoline-2,4-dione;3-bromo-2-fluoroaniline;6-bromo-7-fluoro-1H-indole-2,3-dione;1-bromo-2-fluoro-3-nitrobenzene;(2E)-N-(3-bromo-2-fluorophenyl)-2-hydroxyiminoacetamide;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl (2R,6S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate;deuterio(fluoro)methane;2-(diethylamino)ethanol;ethane-1,1-diol;methane;urea
SMILESC.CC(O)O.CCN(CC)CCO.C[C@@H]1CN(c2nc(Cl)nc3c(F)c(Br)c(Cl)cc23)C[C@H](C)N1C(=O)OC(C)(C)C.C[C@@H]1CNC[C@H](C)N1C(=O)OC(C)(C)C.Fc1c(Br)c(Cl)cc2c(Cl)nc(Cl)nc12.NC(N)=O.N[N-]O.Nc1c(C(=O)O)cc(Cl)c(Br)c1F.Nc1c(C(=O)O)ccc(Br)c1F.Nc1cccc(Br)c1F.O=C(/C=N/O)Nc1cccc(Br)c1F.O=C1Nc2c(ccc(Br)c2F)C1=O.O=[N+]([O-])c1cccc(Br)c1F.O=c1[nH]c(=O)c2cc(Br)c(Cl)c(F)c2[nH]1.[2H]CF.[Na+]
InChIInChI=1S/C19H22BrCl2FN4O2.C11H22N2O2.C8HBrCl3FN2.C8H3BrClFN2O2.C8H6BrFN2O2.C8H3BrFNO2.C7H4BrClFNO2.C7H5BrFNO2.C6H3BrFNO2.C6H5BrFN.C6H15NO.C2H6O2.CH3F.CH4N2O.CH4.H3N2O.Na/c1-9-7-26(8-10(2)27(9)18(28)29-19(3,4)5)16-11-6-12(21)13(20)14(23)15(11)24-17(22)25-16;1-8-6-12-7-9(2)13(8)10(14)15-11(3,4)5;9-4-3(10)1-2-6(5(4)13)14-8(12)15-7(2)11;9-3-1-2-6(5(11)4(3)10)12-8(15)13-7(2)14;9-5-2-1-3-6(8(5)10)12-7(13)4-11-14;9-4-2-1-3-6(5(4)10)11-8(13)7(3)12;8-4-3(9)1-2(7(12)13)6(11)5(4)10;8-4-2-1-3(7(11)12)6(10)5(4)9;7-4-2-1-3-5(6(4)8)9(10)11;7-4-2-1-3-5(9)6(4)8;1-3-7(4-2)5-6-8;1-2(3)4;1-2;2-1(3)4;;1-2-3;/h6,9-10H,7-8H2,1-5H3;8-9,12H,6-7H2,1-5H3;1H;1H,(H2,12,13,14,15);1-4,14H,(H,12,13);1-2H,(H,11,12,13);1H,11H2,(H,12,13);1-2H,10H2,(H,11,12);1-3H;1-3H,9H2;8H,3-6H2,1-2H3;2-4H,1H3;1H3;(H4,2,3,4);1H4;3H,1H2;/q;;;;;;;;;;;;;;;-1;+1/b;;;;11-4+;;;;;;;;;;;;/t9-,10+;8-,9+;;;;;;;;;;;;;;;/i;;;;;;;;;;;;1D;;;;
InChIKeyBZPZBADCHWUIKX-NIGYXAMFSA-N
MW3124.38 g/mol
LogP22.82
Rot. Bonds10

About sodium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;amino(hydroxy)azanide;6-bromo-7-chloro-8-fluoro-1H-quinazoline-2,4-dione;3-bromo-2-fluoroaniline;6-bromo-7-fluoro-1H-indole-2,3-dione;1-bromo-2-fluoro-3-nitrobenzene;(2E)-N-(3-bromo-2-fluorophenyl)-2-hydroxyiminoacetamide;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl (2R,6S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate;deuterio(fluoro)methane;2-(diethylamino)ethanol;ethane-1,1-diol;methane;urea

sodium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;amino(hydroxy)azanide;6-bromo-7-chloro-8-fluoro-1H-quinazoline-2,4-dione;3-bromo-2-fluoroaniline;6-bromo-7-fluoro-1H-indole-2,3-dione;1-bromo-2-fluoro-3-nitrobenzene;(2E)-N-(3-bromo-2-fluorophenyl)-2-hydroxyiminoacetamide;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl (2R,6S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate;deuterio(fluoro)methane;2-(diethylamino)ethanol;ethane-1,1-diol;methane;urea (PubChem CID 172965853) has the molecular formula C99H109Br9Cl7F10N22NaO21 and a molecular weight of 3124.38 g/mol. Its IUPAC name is sodium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;amino(hydroxy)azanide;6-bromo-7-chloro-8-fluoro-1H-quinazoline-2,4-dione;3-bromo-2-fluoroaniline;6-bromo-7-fluoro-1H-indole-2,3-dione;1-bromo-2-fluoro-3-nitrobenzene;(2E)-N-(3-bromo-2-fluorophenyl)-2-hydroxyiminoacetamide;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl (2R,6S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate;deuterio(fluoro)methane;2-(diethylamino)ethanol;ethane-1,1-diol;methane;urea.

Molecular Properties

Compound Namesodium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;amino(hydroxy)azanide;6-bromo-7-chloro-8-fluoro-1H-quinazoline-2,4-dione;3-bromo-2-fluoroaniline;6-bromo-7-fluoro-1H-indole-2,3-dione;1-bromo-2-fluoro-3-nitrobenzene;(2E)-N-(3-bromo-2-fluorophenyl)-2-hydroxyiminoacetamide;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl (2R,6S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate;deuterio(fluoro)methane;2-(diethylamino)ethanol;ethane-1,1-diol;methane;urea
PubChem CID172965853
Molecular FormulaC99H109Br9Cl7F10N22NaO21
Molecular Weight3124.38 g/mol
Exact Mass3110.84
IUPAC Namesodium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;amino(hydroxy)azanide;6-bromo-7-chloro-8-fluoro-1H-quinazoline-2,4-dione;3-bromo-2-fluoroaniline;6-bromo-7-fluoro-1H-indole-2,3-dione;1-bromo-2-fluoro-3-nitrobenzene;(2E)-N-(3-bromo-2-fluorophenyl)-2-hydroxyiminoacetamide;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl (2R,6S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate;deuterio(fluoro)methane;2-(diethylamino)ethanol;ethane-1,1-diol;methane;urea
SMILESC.CC(O)O.CCN(CC)CCO.C[C@@H]1CN(c2nc(Cl)nc3c(F)c(Br)c(Cl)cc23)C[C@H](C)N1C(=O)OC(C)(C)C.C[C@@H]1CNC[C@H](C)N1C(=O)OC(C)(C)C.Fc1c(Br)c(Cl)cc2c(Cl)nc(Cl)nc12.NC(N)=O.N[N-]O.Nc1c(C(=O)O)cc(Cl)c(Br)c1F.Nc1c(C(=O)O)ccc(Br)c1F.Nc1cccc(Br)c1F.O=C(/C=N/O)Nc1cccc(Br)c1F.O=C1Nc2c(ccc(Br)c2F)C1=O.O=[N+]([O-])c1cccc(Br)c1F.O=c1[nH]c(=O)c2cc(Br)c(Cl)c(F)c2[nH]1.[2H]CF.[Na+]
InChIInChI=1S/C19H22BrCl2FN4O2.C11H22N2O2.C8HBrCl3FN2.C8H3BrClFN2O2.C8H6BrFN2O2.C8H3BrFNO2.C7H4BrClFNO2.C7H5BrFNO2.C6H3BrFNO2.C6H5BrFN.C6H15NO.C2H6O2.CH3F.CH4N2O.CH4.H3N2O.Na/c1-9-7-26(8-10(2)27(9)18(28)29-19(3,4)5)16-11-6-12(21)13(20)14(23)15(11)24-17(22)25-16;1-8-6-12-7-9(2)13(8)10(14)15-11(3,4)5;9-4-3(10)1-2-6(5(4)13)14-8(12)15-7(2)11;9-3-1-2-6(5(11)4(3)10)12-8(15)13-7(2)14;9-5-2-1-3-6(8(5)10)12-7(13)4-11-14;9-4-2-1-3-6(5(4)10)11-8(13)7(3)12;8-4-3(9)1-2(7(12)13)6(11)5(4)10;8-4-2-1-3(7(11)12)6(10)5(4)9;7-4-2-1-3-5(6(4)8)9(10)11;7-4-2-1-3-5(9)6(4)8;1-3-7(4-2)5-6-8;1-2(3)4;1-2;2-1(3)4;;1-2-3;/h6,9-10H,7-8H2,1-5H3;8-9,12H,6-7H2,1-5H3;1H;1H,(H2,12,13,14,15);1-4,14H,(H,12,13);1-2H,(H,11,12,13);1H,11H2,(H,12,13);1-2H,10H2,(H,11,12);1-3H;1-3H,9H2;8H,3-6H2,1-2H3;2-4H,1H3;1H3;(H4,2,3,4);1H4;3H,1H2;/q;;;;;;;;;;;;;;;-1;+1/b;;;;11-4+;;;;;;;;;;;;/t9-,10+;8-,9+;;;;;;;;;;;;;;;/i;;;;;;;;;;;;1D;;;;
InChIKeyBZPZBADCHWUIKX-NIGYXAMFSA-N
XLogP22.82
TPSA688.68 Ų
H-Bond Donors18
H-Bond Acceptors31
Rotatable Bonds10
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003124.38
LogP ≤ 522.82
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze sodium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;amino(hydroxy)azanide;6-bromo-7-chloro-8-fluoro-1H-quinazoline-2,4-dione;3-bromo-2-fluoroaniline;6-bromo-7-fluoro-1H-indole-2,3-dione;1-bromo-2-fluoro-3-nitrobenzene;(2E)-N-(3-bromo-2-fluorophenyl)-2-hydroxyiminoacetamide;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl (2R,6S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate;deuterio(fluoro)methane;2-(diethylamino)ethanol;ethane-1,1-diol;methane;urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;amino(hydroxy)azanide;6-bromo-7-chloro-8-fluoro-1H-quinazoline-2,4-dione;3-bromo-2-fluoroaniline;6-bromo-7-fluoro-1H-indole-2,3-dione;1-bromo-2-fluoro-3-nitrobenzene;(2E)-N-(3-bromo-2-fluorophenyl)-2-hydroxyiminoacetamide;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl (2R,6S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate;deuterio(fluoro)methane;2-(diethylamino)ethanol;ethane-1,1-diol;methane;urea?
The IUPAC name of sodium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;amino(hydroxy)azanide;6-bromo-7-chloro-8-fluoro-1H-quinazoline-2,4-dione;3-bromo-2-fluoroaniline;6-bromo-7-fluoro-1H-indole-2,3-dione;1-bromo-2-fluoro-3-nitrobenzene;(2E)-N-(3-bromo-2-fluorophenyl)-2-hydroxyiminoacetamide;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl (2R,6S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate;deuterio(fluoro)methane;2-(diethylamino)ethanol;ethane-1,1-diol;methane;urea (CID 172965853) is sodium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;amino(hydroxy)azanide;6-bromo-7-chloro-8-fluoro-1H-quinazoline-2,4-dione;3-bromo-2-fluoroaniline;6-bromo-7-fluoro-1H-indole-2,3-dione;1-bromo-2-fluoro-3-nitrobenzene;(2E)-N-(3-bromo-2-fluorophenyl)-2-hydroxyiminoacetamide;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl (2R,6S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate;deuterio(fluoro)methane;2-(diethylamino)ethanol;ethane-1,1-diol;methane;urea.
What is the SMILES notation for sodium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;amino(hydroxy)azanide;6-bromo-7-chloro-8-fluoro-1H-quinazoline-2,4-dione;3-bromo-2-fluoroaniline;6-bromo-7-fluoro-1H-indole-2,3-dione;1-bromo-2-fluoro-3-nitrobenzene;(2E)-N-(3-bromo-2-fluorophenyl)-2-hydroxyiminoacetamide;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl (2R,6S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate;deuterio(fluoro)methane;2-(diethylamino)ethanol;ethane-1,1-diol;methane;urea?
The canonical SMILES for sodium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;amino(hydroxy)azanide;6-bromo-7-chloro-8-fluoro-1H-quinazoline-2,4-dione;3-bromo-2-fluoroaniline;6-bromo-7-fluoro-1H-indole-2,3-dione;1-bromo-2-fluoro-3-nitrobenzene;(2E)-N-(3-bromo-2-fluorophenyl)-2-hydroxyiminoacetamide;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl (2R,6S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate;deuterio(fluoro)methane;2-(diethylamino)ethanol;ethane-1,1-diol;methane;urea is C.CC(O)O.CCN(CC)CCO.C[C@@H]1CN(c2nc(Cl)nc3c(F)c(Br)c(Cl)cc23)C[C@H](C)N1C(=O)OC(C)(C)C.C[C@@H]1CNC[C@H](C)N1C(=O)OC(C)(C)C.Fc1c(Br)c(Cl)cc2c(Cl)nc(Cl)nc12.NC(N)=O.N[N-]O.Nc1c(C(=O)O)cc(Cl)c(Br)c1F.Nc1c(C(=O)O)ccc(Br)c1F.Nc1cccc(Br)c1F.O=C(/C=N/O)Nc1cccc(Br)c1F.O=C1Nc2c(ccc(Br)c2F)C1=O.O=[N+]([O-])c1cccc(Br)c1F.O=c1[nH]c(=O)c2cc(Br)c(Cl)c(F)c2[nH]1.[2H]CF.[Na+].
What is the InChIKey of sodium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;amino(hydroxy)azanide;6-bromo-7-chloro-8-fluoro-1H-quinazoline-2,4-dione;3-bromo-2-fluoroaniline;6-bromo-7-fluoro-1H-indole-2,3-dione;1-bromo-2-fluoro-3-nitrobenzene;(2E)-N-(3-bromo-2-fluorophenyl)-2-hydroxyiminoacetamide;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl (2R,6S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate;deuterio(fluoro)methane;2-(diethylamino)ethanol;ethane-1,1-diol;methane;urea?
The InChIKey is BZPZBADCHWUIKX-NIGYXAMFSA-N. The full InChI is InChI=1S/C19H22BrCl2FN4O2.C11H22N2O2.C8HBrCl3FN2.C8H3BrClFN2O2.C8H6BrFN2O2.C8H3BrFNO2.C7H4BrClFNO2.C7H5BrFNO2.C6H3BrFNO2.C6H5BrFN.C6H15NO.C2H6O2.CH3F.CH4N2O.CH4.H3N2O.Na/c1-9-7-26(8-10(2)27(9)18(28)29-19(3,4)5)16-11-6-12(21)13(20)14(23)15(11)24-17(22)25-16;1-8-6-12-7-9(2)13(8)10(14)15-11(3,4)5;9-4-3(10)1-2-6(5(4)13)14-8(12)15-7(2)11;9-3-1-2-6(5(11)4(3)10)12-8(15)13-7(2)14;9-5-2-1-3-6(8(5)10)12-7(13)4-11-14;9-4-2-1-3-6(5(4)10)11-8(13)7(3)12;8-4-3(9)1-2(7(12)13)6(11)5(4)10;8-4-2-1-3(7(11)12)6(10)5(4)9;7-4-2-1-3-5(6(4)8)9(10)11;7-4-2-1-3-5(9)6(4)8;1-3-7(4-2)5-6-8;1-2(3)4;1-2;2-1(3)4;;1-2-3;/h6,9-10H,7-8H2,1-5H3;8-9,12H,6-7H2,1-5H3;1H;1H,(H2,12,13,14,15);1-4,14H,(H,12,13);1-2H,(H,11,12,13);1H,11H2,(H,12,13);1-2H,10H2,(H,11,12);1-3H;1-3H,9H2;8H,3-6H2,1-2H3;2-4H,1H3;1H3;(H4,2,3,4);1H4;3H,1H2;/q;;;;;;;;;;;;;;;-1;+1/b;;;;11-4+;;;;;;;;;;;;/t9-,10+;8-,9+;;;;;;;;;;;;;;;/i;;;;;;;;;;;;1D;;;;.
What are the key properties of sodium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;amino(hydroxy)azanide;6-bromo-7-chloro-8-fluoro-1H-quinazoline-2,4-dione;3-bromo-2-fluoroaniline;6-bromo-7-fluoro-1H-indole-2,3-dione;1-bromo-2-fluoro-3-nitrobenzene;(2E)-N-(3-bromo-2-fluorophenyl)-2-hydroxyiminoacetamide;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl (2R,6S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate;deuterio(fluoro)methane;2-(diethylamino)ethanol;ethane-1,1-diol;methane;urea?
sodium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;amino(hydroxy)azanide;6-bromo-7-chloro-8-fluoro-1H-quinazoline-2,4-dione;3-bromo-2-fluoroaniline;6-bromo-7-fluoro-1H-indole-2,3-dione;1-bromo-2-fluoro-3-nitrobenzene;(2E)-N-(3-bromo-2-fluorophenyl)-2-hydroxyiminoacetamide;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl (2R,6S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate;deuterio(fluoro)methane;2-(diethylamino)ethanol;ethane-1,1-diol;methane;urea has a molecular weight of 3124.38 g/mol, XLogP of 22.82, 10 rotatable bonds, 18 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-amino-4-bromo-5-chloro-3-fluorobenzoic acid;2-amino-4-bromo-3-fluorobenzoic acid;amino(hydroxy)azanide;6-bromo-7-chloro-8-fluoro-1H-quinazoline-2,4-dione;3-bromo-2-fluoroaniline;6-bromo-7-fluoro-1H-indole-2,3-dione;1-bromo-2-fluoro-3-nitrobenzene;(2E)-N-(3-bromo-2-fluorophenyl)-2-hydroxyiminoacetamide;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl (2R,6S)-4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2,6-dimethylpiperazine-1-carboxylate;tert-butyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate;deuterio(fluoro)methane;2-(diethylamino)ethanol;ethane-1,1-diol;methane;urea is sourced from PubChem (CID 172965853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).