tert-butyl (7S)-15-(2-bromoethoxy)-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-14-fluoro-15-hydroxy-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;deuterioethane;1,2-dibromoethane;(7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;N-methylmethanamine;2,2,2-trifluoroacetaldehyde;hydrochloride

C109H136Br3ClF7N23O19 — CID 161282121

IUPACtert-butyl (7S)-15-(2-bromoethoxy)-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-14-fluoro-15-hydroxy-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;deuterioethane;1,2-dibromoethane;(7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;N-methylmethanamine;2,2,2-trifluoroacetaldehyde;hydrochloride
SMILESBrCCBr.CNC.C[C@H]1CCCOc2cc(F)c(O)cc2C(=O)N(C(=O)OC(C)(C)C)c2cccc(n2)-c2nncn21.C[C@H]1CCCOc2cc(F)c(OCCBr)cc2C(=O)N(C(=O)OC(C)(C)C)c2cccc(n2)-c2nncn21.C[C@H]1CCCOc2cc(F)c(OCCN(C)C)cc2C(=O)N(C(=O)OC(C)(C)C)c2cccc(n2)-c2nncn21.C[C@H]1CCCOc2cc(F)c(OCCN(C)C)cc2C(=O)Nc2cccc(n2)-c2nncn21.Cl.O=CC(F)(F)F.[2H]CC
InChIInChI=1S/C28H35FN6O5.C26H29BrFN5O5.C24H26FN5O5.C23H27FN6O3.C2H4Br2.C2HF3O.C2H7N.C2H6.ClH/c1-18-9-8-13-38-22-16-20(29)23(39-14-12-33(5)6)15-19(22)26(36)35(27(37)40-28(2,3)4)24-11-7-10-21(31-24)25-32-30-17-34(18)25;1-16-7-6-11-36-20-14-18(28)21(37-12-10-27)13-17(20)24(34)33(25(35)38-26(2,3)4)22-9-5-8-19(30-22)23-31-29-15-32(16)23;1-14-7-6-10-34-19-12-16(25)18(31)11-15(19)22(32)30(23(33)35-24(2,3)4)20-9-5-8-17(27-20)21-28-26-13-29(14)21;1-15-6-5-10-32-19-13-17(24)20(33-11-9-29(2)3)12-16(19)23(31)27-21-8-4-7-18(26-21)22-28-25-14-30(15)22;3-1-2-4;3-2(4,5)1-6;1-3-2;1-2;/h7,10-11,15-18H,8-9,12-14H2,1-6H3;5,8-9,13-16H,6-7,10-12H2,1-4H3;5,8-9,11-14,31H,6-7,10H2,1-4H3;4,7-8,12-15H,5-6,9-11H2,1-3H3,(H,26,27,31);1-2H2;1H;3H,1-2H3;1-2H3;1H/t18-;16-;14-;15-;;;;;/m0000...../s1/i;;;;;;;1D;
InChIKeySYWAHKLZWOJWOW-RAKRHBCDSA-N
MW2481.59 g/mol
LogP22.02
Rot. Bonds12

About tert-butyl (7S)-15-(2-bromoethoxy)-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-14-fluoro-15-hydroxy-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;deuterioethane;1,2-dibromoethane;(7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;N-methylmethanamine;2,2,2-trifluoroacetaldehyde;hydrochloride

tert-butyl (7S)-15-(2-bromoethoxy)-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-14-fluoro-15-hydroxy-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;deuterioethane;1,2-dibromoethane;(7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;N-methylmethanamine;2,2,2-trifluoroacetaldehyde;hydrochloride (PubChem CID 161282121) has the molecular formula C109H136Br3ClF7N23O19 and a molecular weight of 2481.59 g/mol. Its IUPAC name is tert-butyl (7S)-15-(2-bromoethoxy)-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-14-fluoro-15-hydroxy-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;deuterioethane;1,2-dibromoethane;(7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;N-methylmethanamine;2,2,2-trifluoroacetaldehyde;hydrochloride.

Molecular Properties

Compound Nametert-butyl (7S)-15-(2-bromoethoxy)-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-14-fluoro-15-hydroxy-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;deuterioethane;1,2-dibromoethane;(7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;N-methylmethanamine;2,2,2-trifluoroacetaldehyde;hydrochloride
PubChem CID161282121
Molecular FormulaC109H136Br3ClF7N23O19
Molecular Weight2481.59 g/mol
Exact Mass2476.76
IUPAC Nametert-butyl (7S)-15-(2-bromoethoxy)-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-14-fluoro-15-hydroxy-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;deuterioethane;1,2-dibromoethane;(7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;N-methylmethanamine;2,2,2-trifluoroacetaldehyde;hydrochloride
SMILESBrCCBr.CNC.C[C@H]1CCCOc2cc(F)c(O)cc2C(=O)N(C(=O)OC(C)(C)C)c2cccc(n2)-c2nncn21.C[C@H]1CCCOc2cc(F)c(OCCBr)cc2C(=O)N(C(=O)OC(C)(C)C)c2cccc(n2)-c2nncn21.C[C@H]1CCCOc2cc(F)c(OCCN(C)C)cc2C(=O)N(C(=O)OC(C)(C)C)c2cccc(n2)-c2nncn21.C[C@H]1CCCOc2cc(F)c(OCCN(C)C)cc2C(=O)Nc2cccc(n2)-c2nncn21.Cl.O=CC(F)(F)F.[2H]CC
InChIInChI=1S/C28H35FN6O5.C26H29BrFN5O5.C24H26FN5O5.C23H27FN6O3.C2H4Br2.C2HF3O.C2H7N.C2H6.ClH/c1-18-9-8-13-38-22-16-20(29)23(39-14-12-33(5)6)15-19(22)26(36)35(27(37)40-28(2,3)4)24-11-7-10-21(31-24)25-32-30-17-34(18)25;1-16-7-6-11-36-20-14-18(28)21(37-12-10-27)13-17(20)24(34)33(25(35)38-26(2,3)4)22-9-5-8-19(30-22)23-31-29-15-32(16)23;1-14-7-6-10-34-19-12-16(25)18(31)11-15(19)22(32)30(23(33)35-24(2,3)4)20-9-5-8-17(27-20)21-28-26-13-29(14)21;1-15-6-5-10-32-19-13-17(24)20(33-11-9-29(2)3)12-16(19)23(31)27-21-8-4-7-18(26-21)22-28-25-14-30(15)22;3-1-2-4;3-2(4,5)1-6;1-3-2;1-2;/h7,10-11,15-18H,8-9,12-14H2,1-6H3;5,8-9,13-16H,6-7,10-12H2,1-4H3;5,8-9,11-14,31H,6-7,10H2,1-4H3;4,7-8,12-15H,5-6,9-11H2,1-3H3,(H,26,27,31);1-2H2;1H;3H,1-2H3;1-2H3;1H/t18-;16-;14-;15-;;;;;/m0000...../s1/i;;;;;;;1D;
InChIKeySYWAHKLZWOJWOW-RAKRHBCDSA-N
XLogP22.02
TPSA463.75 Ų
H-Bond Donors3
H-Bond Acceptors38
Rotatable Bonds12
Heavy Atoms162
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002481.59
LogP ≤ 522.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze tert-butyl (7S)-15-(2-bromoethoxy)-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-14-fluoro-15-hydroxy-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;deuterioethane;1,2-dibromoethane;(7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;N-methylmethanamine;2,2,2-trifluoroacetaldehyde;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (7S)-15-(2-bromoethoxy)-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-14-fluoro-15-hydroxy-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;deuterioethane;1,2-dibromoethane;(7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;N-methylmethanamine;2,2,2-trifluoroacetaldehyde;hydrochloride?
The IUPAC name of tert-butyl (7S)-15-(2-bromoethoxy)-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-14-fluoro-15-hydroxy-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;deuterioethane;1,2-dibromoethane;(7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;N-methylmethanamine;2,2,2-trifluoroacetaldehyde;hydrochloride (CID 161282121) is tert-butyl (7S)-15-(2-bromoethoxy)-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-14-fluoro-15-hydroxy-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;deuterioethane;1,2-dibromoethane;(7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;N-methylmethanamine;2,2,2-trifluoroacetaldehyde;hydrochloride.
What is the SMILES notation for tert-butyl (7S)-15-(2-bromoethoxy)-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-14-fluoro-15-hydroxy-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;deuterioethane;1,2-dibromoethane;(7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;N-methylmethanamine;2,2,2-trifluoroacetaldehyde;hydrochloride?
The canonical SMILES for tert-butyl (7S)-15-(2-bromoethoxy)-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-14-fluoro-15-hydroxy-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;deuterioethane;1,2-dibromoethane;(7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;N-methylmethanamine;2,2,2-trifluoroacetaldehyde;hydrochloride is BrCCBr.CNC.C[C@H]1CCCOc2cc(F)c(O)cc2C(=O)N(C(=O)OC(C)(C)C)c2cccc(n2)-c2nncn21.C[C@H]1CCCOc2cc(F)c(OCCBr)cc2C(=O)N(C(=O)OC(C)(C)C)c2cccc(n2)-c2nncn21.C[C@H]1CCCOc2cc(F)c(OCCN(C)C)cc2C(=O)N(C(=O)OC(C)(C)C)c2cccc(n2)-c2nncn21.C[C@H]1CCCOc2cc(F)c(OCCN(C)C)cc2C(=O)Nc2cccc(n2)-c2nncn21.Cl.O=CC(F)(F)F.[2H]CC.
What is the InChIKey of tert-butyl (7S)-15-(2-bromoethoxy)-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-14-fluoro-15-hydroxy-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;deuterioethane;1,2-dibromoethane;(7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;N-methylmethanamine;2,2,2-trifluoroacetaldehyde;hydrochloride?
The InChIKey is SYWAHKLZWOJWOW-RAKRHBCDSA-N. The full InChI is InChI=1S/C28H35FN6O5.C26H29BrFN5O5.C24H26FN5O5.C23H27FN6O3.C2H4Br2.C2HF3O.C2H7N.C2H6.ClH/c1-18-9-8-13-38-22-16-20(29)23(39-14-12-33(5)6)15-19(22)26(36)35(27(37)40-28(2,3)4)24-11-7-10-21(31-24)25-32-30-17-34(18)25;1-16-7-6-11-36-20-14-18(28)21(37-12-10-27)13-17(20)24(34)33(25(35)38-26(2,3)4)22-9-5-8-19(30-22)23-31-29-15-32(16)23;1-14-7-6-10-34-19-12-16(25)18(31)11-15(19)22(32)30(23(33)35-24(2,3)4)20-9-5-8-17(27-20)21-28-26-13-29(14)21;1-15-6-5-10-32-19-13-17(24)20(33-11-9-29(2)3)12-16(19)23(31)27-21-8-4-7-18(26-21)22-28-25-14-30(15)22;3-1-2-4;3-2(4,5)1-6;1-3-2;1-2;/h7,10-11,15-18H,8-9,12-14H2,1-6H3;5,8-9,13-16H,6-7,10-12H2,1-4H3;5,8-9,11-14,31H,6-7,10H2,1-4H3;4,7-8,12-15H,5-6,9-11H2,1-3H3,(H,26,27,31);1-2H2;1H;3H,1-2H3;1-2H3;1H/t18-;16-;14-;15-;;;;;/m0000...../s1/i;;;;;;;1D;.
What are the key properties of tert-butyl (7S)-15-(2-bromoethoxy)-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-14-fluoro-15-hydroxy-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;deuterioethane;1,2-dibromoethane;(7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;N-methylmethanamine;2,2,2-trifluoroacetaldehyde;hydrochloride?
tert-butyl (7S)-15-(2-bromoethoxy)-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-14-fluoro-15-hydroxy-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;deuterioethane;1,2-dibromoethane;(7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;N-methylmethanamine;2,2,2-trifluoroacetaldehyde;hydrochloride has a molecular weight of 2481.59 g/mol, XLogP of 22.02, 12 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (7S)-15-(2-bromoethoxy)-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;tert-butyl (7S)-14-fluoro-15-hydroxy-7-methyl-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaene-19-carboxylate;deuterioethane;1,2-dibromoethane;(7S)-15-[2-(dimethylamino)ethoxy]-14-fluoro-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;N-methylmethanamine;2,2,2-trifluoroacetaldehyde;hydrochloride is sourced from PubChem (CID 161282121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).