bis(2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetic acid);2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropyl-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanone;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetate;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-2-cyclopropylacetate;ethyl 2-bromo-2-cyclopropylacetate;4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;1-[4-(2-methoxyethoxy)phenyl]piperazine

C122H128BrN46O21+ — CID 157162914

IUPACbis(2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetic acid);2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropyl-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanone;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetate;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-2-cyclopropylacetate;ethyl 2-bromo-2-cyclopropylacetate;4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;1-[4-(2-methoxyethoxy)phenyl]piperazine
SMILESCCOC(=O)C(Br)C1CC1.CCOC(=O)C(C1CC1)n1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1.CCOC(=O)C(C1CC1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21.COCCOc1ccc(N2CCN(C(=O)C(C3CC3)n3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1.Nc1nc2[nH]ncc2c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2C(C(=O)O)C2CC2)c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2C(C(=O)O)C2CC2)c2nc(-c3ccco3)nn12.[CH2+]OCCOc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C28H31N9O4.2C17H17N7O3.2C15H13N7O3.C13H19N2O2.C10H7N7O.C7H11BrO2/c1-39-15-16-40-20-8-6-19(7-9-20)34-10-12-35(13-11-34)27(38)23(18-4-5-18)36-26-21(17-30-36)25-31-24(22-3-2-14-41-22)33-37(25)28(29)32-26;1-2-26-16(25)12(9-5-6-9)23-15-10(8-19-23)14-20-13(11-4-3-7-27-11)22-24(14)17(18)21-15;1-2-26-16(25)12(9-5-6-9)23-8-10-13(21-23)20-17(18)24-15(10)19-14(22-24)11-4-3-7-27-11;2*16-15-19-13-8(6-17-21(13)10(14(23)24)7-3-4-7)12-18-11(20-22(12)15)9-2-1-5-25-9;1-16-10-11-17-13-4-2-12(3-5-13)15-8-6-14-7-9-15;11-10-14-7-5(4-12-15-7)9-13-8(16-17(9)10)6-2-1-3-18-6;1-2-10-7(9)6(8)5-3-4-5/h2-3,6-9,14,17-18,23H,4-5,10-13,15-16H2,1H3,(H2,29,32);3-4,7-9,12H,2,5-6H2,1H3,(H2,18,21);3-4,7-9,12H,2,5-6H2,1H3,(H2,18,20,21);2*1-2,5-7,10H,3-4H2,(H2,16,19)(H,23,24);2-5,14H,1,6-11H2;1-4H,(H3,11,12,14,15);5-6H,2-4H2,1H3/q;;;;;+1;;
InChIKeyAMOPEOPLZWLQJN-UHFFFAOYSA-N
MW2654.57 g/mol
LogP12.85
Rot. Bonds36

About bis(2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetic acid);2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropyl-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanone;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetate;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-2-cyclopropylacetate;ethyl 2-bromo-2-cyclopropylacetate;4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;1-[4-(2-methoxyethoxy)phenyl]piperazine

bis(2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetic acid);2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropyl-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanone;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetate;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-2-cyclopropylacetate;ethyl 2-bromo-2-cyclopropylacetate;4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;1-[4-(2-methoxyethoxy)phenyl]piperazine (PubChem CID 157162914) has the molecular formula C122H128BrN46O21+ and a molecular weight of 2654.57 g/mol. Its IUPAC name is bis(2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetic acid);2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropyl-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanone;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetate;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-2-cyclopropylacetate;ethyl 2-bromo-2-cyclopropylacetate;4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;1-[4-(2-methoxyethoxy)phenyl]piperazine.

Molecular Properties

Compound Namebis(2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetic acid);2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropyl-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanone;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetate;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-2-cyclopropylacetate;ethyl 2-bromo-2-cyclopropylacetate;4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;1-[4-(2-methoxyethoxy)phenyl]piperazine
PubChem CID157162914
Molecular FormulaC122H128BrN46O21+
Molecular Weight2654.57 g/mol
Exact Mass2651.95
IUPAC Namebis(2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetic acid);2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropyl-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanone;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetate;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-2-cyclopropylacetate;ethyl 2-bromo-2-cyclopropylacetate;4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;1-[4-(2-methoxyethoxy)phenyl]piperazine
SMILESCCOC(=O)C(Br)C1CC1.CCOC(=O)C(C1CC1)n1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1.CCOC(=O)C(C1CC1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21.COCCOc1ccc(N2CCN(C(=O)C(C3CC3)n3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1.Nc1nc2[nH]ncc2c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2C(C(=O)O)C2CC2)c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2C(C(=O)O)C2CC2)c2nc(-c3ccco3)nn12.[CH2+]OCCOc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C28H31N9O4.2C17H17N7O3.2C15H13N7O3.C13H19N2O2.C10H7N7O.C7H11BrO2/c1-39-15-16-40-20-8-6-19(7-9-20)34-10-12-35(13-11-34)27(38)23(18-4-5-18)36-26-21(17-30-36)25-31-24(22-3-2-14-41-22)33-37(25)28(29)32-26;1-2-26-16(25)12(9-5-6-9)23-15-10(8-19-23)14-20-13(11-4-3-7-27-11)22-24(14)17(18)21-15;1-2-26-16(25)12(9-5-6-9)23-8-10-13(21-23)20-17(18)24-15(10)19-14(22-24)11-4-3-7-27-11;2*16-15-19-13-8(6-17-21(13)10(14(23)24)7-3-4-7)12-18-11(20-22(12)15)9-2-1-5-25-9;1-16-10-11-17-13-4-2-12(3-5-13)15-8-6-14-7-9-15;11-10-14-7-5(4-12-15-7)9-13-8(16-17(9)10)6-2-1-3-18-6;1-2-10-7(9)6(8)5-3-4-5/h2-3,6-9,14,17-18,23H,4-5,10-13,15-16H2,1H3,(H2,29,32);3-4,7-9,12H,2,5-6H2,1H3,(H2,18,21);3-4,7-9,12H,2,5-6H2,1H3,(H2,18,20,21);2*1-2,5-7,10H,3-4H2,(H2,16,19)(H,23,24);2-5,14H,1,6-11H2;1-4H,(H3,11,12,14,15);5-6H,2-4H2,1H3/q;;;;;+1;;
InChIKeyAMOPEOPLZWLQJN-UHFFFAOYSA-N
XLogP12.85
TPSA840.46 Ų
H-Bond Donors10
H-Bond Acceptors63
Rotatable Bonds36
Heavy Atoms190
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002654.57
LogP ≤ 512.85
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze bis(2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetic acid);2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropyl-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanone;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetate;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-2-cyclopropylacetate;ethyl 2-bromo-2-cyclopropylacetate;4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;1-[4-(2-methoxyethoxy)phenyl]piperazine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetic acid);2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropyl-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanone;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetate;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-2-cyclopropylacetate;ethyl 2-bromo-2-cyclopropylacetate;4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;1-[4-(2-methoxyethoxy)phenyl]piperazine?
The IUPAC name of bis(2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetic acid);2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropyl-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanone;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetate;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-2-cyclopropylacetate;ethyl 2-bromo-2-cyclopropylacetate;4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;1-[4-(2-methoxyethoxy)phenyl]piperazine (CID 157162914) is bis(2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetic acid);2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropyl-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanone;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetate;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-2-cyclopropylacetate;ethyl 2-bromo-2-cyclopropylacetate;4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;1-[4-(2-methoxyethoxy)phenyl]piperazine.
What is the SMILES notation for bis(2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetic acid);2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropyl-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanone;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetate;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-2-cyclopropylacetate;ethyl 2-bromo-2-cyclopropylacetate;4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;1-[4-(2-methoxyethoxy)phenyl]piperazine?
The canonical SMILES for bis(2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetic acid);2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropyl-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanone;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetate;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-2-cyclopropylacetate;ethyl 2-bromo-2-cyclopropylacetate;4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;1-[4-(2-methoxyethoxy)phenyl]piperazine is CCOC(=O)C(Br)C1CC1.CCOC(=O)C(C1CC1)n1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1.CCOC(=O)C(C1CC1)n1ncc2c1nc(N)n1nc(-c3ccco3)nc21.COCCOc1ccc(N2CCN(C(=O)C(C3CC3)n3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1.Nc1nc2[nH]ncc2c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2C(C(=O)O)C2CC2)c2nc(-c3ccco3)nn12.Nc1nc2c(cnn2C(C(=O)O)C2CC2)c2nc(-c3ccco3)nn12.[CH2+]OCCOc1ccc(N2CCNCC2)cc1.
What is the InChIKey of bis(2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetic acid);2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropyl-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanone;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetate;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-2-cyclopropylacetate;ethyl 2-bromo-2-cyclopropylacetate;4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;1-[4-(2-methoxyethoxy)phenyl]piperazine?
The InChIKey is AMOPEOPLZWLQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N9O4.2C17H17N7O3.2C15H13N7O3.C13H19N2O2.C10H7N7O.C7H11BrO2/c1-39-15-16-40-20-8-6-19(7-9-20)34-10-12-35(13-11-34)27(38)23(18-4-5-18)36-26-21(17-30-36)25-31-24(22-3-2-14-41-22)33-37(25)28(29)32-26;1-2-26-16(25)12(9-5-6-9)23-15-10(8-19-23)14-20-13(11-4-3-7-27-11)22-24(14)17(18)21-15;1-2-26-16(25)12(9-5-6-9)23-8-10-13(21-23)20-17(18)24-15(10)19-14(22-24)11-4-3-7-27-11;2*16-15-19-13-8(6-17-21(13)10(14(23)24)7-3-4-7)12-18-11(20-22(12)15)9-2-1-5-25-9;1-16-10-11-17-13-4-2-12(3-5-13)15-8-6-14-7-9-15;11-10-14-7-5(4-12-15-7)9-13-8(16-17(9)10)6-2-1-3-18-6;1-2-10-7(9)6(8)5-3-4-5/h2-3,6-9,14,17-18,23H,4-5,10-13,15-16H2,1H3,(H2,29,32);3-4,7-9,12H,2,5-6H2,1H3,(H2,18,21);3-4,7-9,12H,2,5-6H2,1H3,(H2,18,20,21);2*1-2,5-7,10H,3-4H2,(H2,16,19)(H,23,24);2-5,14H,1,6-11H2;1-4H,(H3,11,12,14,15);5-6H,2-4H2,1H3/q;;;;;+1;;.
What are the key properties of bis(2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetic acid);2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropyl-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanone;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetate;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-2-cyclopropylacetate;ethyl 2-bromo-2-cyclopropylacetate;4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;1-[4-(2-methoxyethoxy)phenyl]piperazine?
bis(2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetic acid);2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropyl-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanone;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetate;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-2-cyclopropylacetate;ethyl 2-bromo-2-cyclopropylacetate;4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;1-[4-(2-methoxyethoxy)phenyl]piperazine has a molecular weight of 2654.57 g/mol, XLogP of 12.85, 36 rotatable bonds, 10 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetic acid);2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropyl-1-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanone;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-2-cyclopropylacetate;ethyl 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-2-cyclopropylacetate;ethyl 2-bromo-2-cyclopropylacetate;4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;1-[4-(2-methoxyethoxy)phenyl]piperazine is sourced from PubChem (CID 157162914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).