sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[7-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;2,3-dichloro-6-(trifluoromethyl)quinoxaline;4-piperazin-1-yl-7-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;1,1,1-trifluoroethane;azide;trihydrochloride

C99H112Cl6F18N39NaO8 — CID 159749318

IUPACsodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[7-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;2,3-dichloro-6-(trifluoromethyl)quinoxaline;4-piperazin-1-yl-7-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;1,1,1-trifluoroethane;azide;trihydrochloride
SMILESCC(C)(C)OC(=O)N1CCN(c2nc3cc(C(F)(F)F)ccc3n3nnnc23)CC1.CC(C)(C)OC(=O)N1CCN(c2nc3ccc(C(F)(F)F)cc3n3nnnc23)CC1.CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3nc2Cl)CC1.CC(C)(C)OC(=O)N1CCNCC1.CC(F)(F)F.Cl.Cl.Cl.FC(F)(F)c1ccc2c(c1)nc(N1CCNCC1)c1nnnn12.FC(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1.FC(F)(F)c1ccc2nc(N3CCNCC3)c3nnnn3c2c1.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/2C18H20F3N7O2.C17H21ClN4O2.2C13H12F3N7.C9H3Cl2F3N2.C9H18N2O2.C2H3F3.3ClH.N3.Na/c1-17(2,3)30-16(29)27-8-6-26(7-9-27)14-15-23-24-25-28(15)13-5-4-11(18(19,20)21)10-12(13)22-14;1-17(2,3)30-16(29)27-8-6-26(7-9-27)14-15-23-24-25-28(15)13-10-11(18(19,20)21)4-5-12(13)22-14;1-17(2,3)24-16(23)22-10-8-21(9-11-22)15-14(18)19-12-6-4-5-7-13(12)20-15;14-13(15,16)8-1-2-10-9(7-8)18-11(12-19-20-21-23(10)12)22-5-3-17-4-6-22;14-13(15,16)8-1-2-9-10(7-8)23-12(19-20-21-23)11(18-9)22-5-3-17-4-6-22;10-7-8(11)16-6-3-4(9(12,13)14)1-2-5(6)15-7;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-2(3,4)5;;;;1-3-2;/h2*4-5,10H,6-9H2,1-3H3;4-7H,8-11H2,1-3H3;2*1-2,7,17H,3-6H2;1-3H;10H,4-7H2,1-3H3;1H3;3*1H;;/q;;;;;;;;;;;-1;+1
InChIKeyNVURTUDRSRTLOD-UHFFFAOYSA-N
MW2553.92 g/mol
LogP16.53
Rot. Bonds5

About sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[7-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;2,3-dichloro-6-(trifluoromethyl)quinoxaline;4-piperazin-1-yl-7-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;1,1,1-trifluoroethane;azide;trihydrochloride

sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[7-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;2,3-dichloro-6-(trifluoromethyl)quinoxaline;4-piperazin-1-yl-7-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;1,1,1-trifluoroethane;azide;trihydrochloride (PubChem CID 159749318) has the molecular formula C99H112Cl6F18N39NaO8 and a molecular weight of 2553.92 g/mol. Its IUPAC name is sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[7-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;2,3-dichloro-6-(trifluoromethyl)quinoxaline;4-piperazin-1-yl-7-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;1,1,1-trifluoroethane;azide;trihydrochloride.

Molecular Properties

Compound Namesodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[7-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;2,3-dichloro-6-(trifluoromethyl)quinoxaline;4-piperazin-1-yl-7-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;1,1,1-trifluoroethane;azide;trihydrochloride
PubChem CID159749318
Molecular FormulaC99H112Cl6F18N39NaO8
Molecular Weight2553.92 g/mol
Exact Mass2549.73
IUPAC Namesodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[7-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;2,3-dichloro-6-(trifluoromethyl)quinoxaline;4-piperazin-1-yl-7-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;1,1,1-trifluoroethane;azide;trihydrochloride
SMILESCC(C)(C)OC(=O)N1CCN(c2nc3cc(C(F)(F)F)ccc3n3nnnc23)CC1.CC(C)(C)OC(=O)N1CCN(c2nc3ccc(C(F)(F)F)cc3n3nnnc23)CC1.CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3nc2Cl)CC1.CC(C)(C)OC(=O)N1CCNCC1.CC(F)(F)F.Cl.Cl.Cl.FC(F)(F)c1ccc2c(c1)nc(N1CCNCC1)c1nnnn12.FC(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1.FC(F)(F)c1ccc2nc(N3CCNCC3)c3nnnn3c2c1.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/2C18H20F3N7O2.C17H21ClN4O2.2C13H12F3N7.C9H3Cl2F3N2.C9H18N2O2.C2H3F3.3ClH.N3.Na/c1-17(2,3)30-16(29)27-8-6-26(7-9-27)14-15-23-24-25-28(15)13-5-4-11(18(19,20)21)10-12(13)22-14;1-17(2,3)30-16(29)27-8-6-26(7-9-27)14-15-23-24-25-28(15)13-10-11(18(19,20)21)4-5-12(13)22-14;1-17(2,3)24-16(23)22-10-8-21(9-11-22)15-14(18)19-12-6-4-5-7-13(12)20-15;14-13(15,16)8-1-2-10-9(7-8)18-11(12-19-20-21-23(10)12)22-5-3-17-4-6-22;14-13(15,16)8-1-2-9-10(7-8)23-12(19-20-21-23)11(18-9)22-5-3-17-4-6-22;10-7-8(11)16-6-3-4(9(12,13)14)1-2-5(6)15-7;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-2(3,4)5;;;;1-3-2;/h2*4-5,10H,6-9H2,1-3H3;4-7H,8-11H2,1-3H3;2*1-2,7,17H,3-6H2;1-3H;10H,4-7H2,1-3H3;1H3;3*1H;;/q;;;;;;;;;;;-1;+1
InChIKeyNVURTUDRSRTLOD-UHFFFAOYSA-N
XLogP16.53
TPSA504.59 Ų
H-Bond Donors3
H-Bond Acceptors40
Rotatable Bonds5
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002553.92
LogP ≤ 516.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[7-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;2,3-dichloro-6-(trifluoromethyl)quinoxaline;4-piperazin-1-yl-7-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;1,1,1-trifluoroethane;azide;trihydrochloride with MolForge

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Related Compounds

Sodium;tert-butyl 4-[3-chloro-7-fluoro-6-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxylate;tert-butyl 4-[7-fluoro-3-hydrazinyl-6-(trifluoromethyl)quinoxalin-2-yl]piperazine-1-carboxylate;tert-butyl 4-[7-fluoro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-fluoro-7-(trifluoromethyl)quinoxaline;diethoxymethoxyethane;7-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;hydroxide;hydrochloride
CID 158735921
Sodium;3-chloro-5-fluoro-2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxaline;2,3-dichloro-5-fluoro-6-(trifluoromethyl)quinoxaline;9-fluoro-4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;1-methylpiperazine;azide
CID 159346792
Sodium;2-chloro-3-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6-(trifluoromethyl)quinoxaline;1-methylpiperazine;4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;1,1,1-trifluoroethane;azide
CID 161104552
Tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;ethane;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline
CID 123357799
Sodium;3-chloro-5-fluoro-6-methyl-2-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-5-fluoro-6-methylquinoxaline;9-fluoro-8-methyl-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;1-methylpiperazine;azide
CID 157583455
bis(carbon dioxide);N-[7-methyl-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxalin-8-yl]formamide;N-[8-methyl-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxalin-7-yl]formamide;4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;N-[4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxalin-8-yl]formamide;N-(7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxalin-8-yl)formamide;N-(8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxalin-7-yl)formamide;4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;N-(4-piperazin-1-yltetrazolo[1,5-a]quinoxalin-8-yl)formamide
CID 157744449
Sodium;2-chloro-3-(4-methylpiperazin-1-yl)quinoxaline;2,3-dichloro-6-methylquinoxaline;ethane;7-methyl-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;8-methyl-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline;1-methylpiperazine;azide
CID 157905426
Sodium;tert-butyl 4-(3-chloro-6,7-difluoroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7,8-difluorotetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6,7-difluoroquinoxaline;7,8-difluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;azide;hydrochloride
CID 158514558
Sodium;tert-butyl 4-[3-(aminomethyl)-7-fluoro-6-methylquinoxalin-2-yl]piperazine-1-carboxylate;tert-butyl 4-(3-chloro-7-fluoro-6-methylquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-fluoro-8-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-fluoro-7-methylquinoxaline;diethoxymethoxyethane;7-fluoro-8-methyl-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrazine;hydroxide;hydrochloride
CID 161063693
Sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2,3-dichloro-6-methylquinoxaline;ethane;7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;azide;trihydrochloride
CID 162173612

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[7-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;2,3-dichloro-6-(trifluoromethyl)quinoxaline;4-piperazin-1-yl-7-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;1,1,1-trifluoroethane;azide;trihydrochloride?
The IUPAC name of sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[7-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;2,3-dichloro-6-(trifluoromethyl)quinoxaline;4-piperazin-1-yl-7-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;1,1,1-trifluoroethane;azide;trihydrochloride (CID 159749318) is sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[7-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;2,3-dichloro-6-(trifluoromethyl)quinoxaline;4-piperazin-1-yl-7-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;1,1,1-trifluoroethane;azide;trihydrochloride.
What is the SMILES notation for sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[7-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;2,3-dichloro-6-(trifluoromethyl)quinoxaline;4-piperazin-1-yl-7-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;1,1,1-trifluoroethane;azide;trihydrochloride?
The canonical SMILES for sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[7-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;2,3-dichloro-6-(trifluoromethyl)quinoxaline;4-piperazin-1-yl-7-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;1,1,1-trifluoroethane;azide;trihydrochloride is CC(C)(C)OC(=O)N1CCN(c2nc3cc(C(F)(F)F)ccc3n3nnnc23)CC1.CC(C)(C)OC(=O)N1CCN(c2nc3ccc(C(F)(F)F)cc3n3nnnc23)CC1.CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3nc2Cl)CC1.CC(C)(C)OC(=O)N1CCNCC1.CC(F)(F)F.Cl.Cl.Cl.FC(F)(F)c1ccc2c(c1)nc(N1CCNCC1)c1nnnn12.FC(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1.FC(F)(F)c1ccc2nc(N3CCNCC3)c3nnnn3c2c1.[N-]=[N+]=[N-].[Na+].
What is the InChIKey of sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[7-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;2,3-dichloro-6-(trifluoromethyl)quinoxaline;4-piperazin-1-yl-7-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;1,1,1-trifluoroethane;azide;trihydrochloride?
The InChIKey is NVURTUDRSRTLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H20F3N7O2.C17H21ClN4O2.2C13H12F3N7.C9H3Cl2F3N2.C9H18N2O2.C2H3F3.3ClH.N3.Na/c1-17(2,3)30-16(29)27-8-6-26(7-9-27)14-15-23-24-25-28(15)13-5-4-11(18(19,20)21)10-12(13)22-14;1-17(2,3)30-16(29)27-8-6-26(7-9-27)14-15-23-24-25-28(15)13-10-11(18(19,20)21)4-5-12(13)22-14;1-17(2,3)24-16(23)22-10-8-21(9-11-22)15-14(18)19-12-6-4-5-7-13(12)20-15;14-13(15,16)8-1-2-10-9(7-8)18-11(12-19-20-21-23(10)12)22-5-3-17-4-6-22;14-13(15,16)8-1-2-9-10(7-8)23-12(19-20-21-23)11(18-9)22-5-3-17-4-6-22;10-7-8(11)16-6-3-4(9(12,13)14)1-2-5(6)15-7;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-2(3,4)5;;;;1-3-2;/h2*4-5,10H,6-9H2,1-3H3;4-7H,8-11H2,1-3H3;2*1-2,7,17H,3-6H2;1-3H;10H,4-7H2,1-3H3;1H3;3*1H;;/q;;;;;;;;;;;-1;+1.
What are the key properties of sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[7-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;2,3-dichloro-6-(trifluoromethyl)quinoxaline;4-piperazin-1-yl-7-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;1,1,1-trifluoroethane;azide;trihydrochloride?
sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[7-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;2,3-dichloro-6-(trifluoromethyl)quinoxaline;4-piperazin-1-yl-7-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;1,1,1-trifluoroethane;azide;trihydrochloride has a molecular weight of 2553.92 g/mol, XLogP of 16.53, 5 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[7-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[8-(trifluoromethyl)tetrazolo[1,5-a]quinoxalin-4-yl]piperazine-1-carboxylate;2,3-dichloro-6-(trifluoromethyl)quinoxaline;4-piperazin-1-yl-7-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;1,1,1-trifluoroethane;azide;trihydrochloride is sourced from PubChem (CID 159749318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).