tert-butyl 3-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]-[(3-fluorophenyl)methyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxylate;(E)-4-(dimethylamino)-1-[3-[[(1S)-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(methylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(propan-2-ylamino)but-2-en-1-one;1-[3-[[(1S)-1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]prop-2-en-1-one

C139H147F5N24O9S5 — CID 160596054

About tert-butyl 3-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]-[(3-fluorophenyl)methyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxylate;(E)-4-(dimethylamino)-1-[3-[[(1S)-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(methylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(propan-2-ylamino)but-2-en-1-one;1-[3-[[(1S)-1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]prop-2-en-1-one

tert-butyl 3-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]-[(3-fluorophenyl)methyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxylate;(E)-4-(dimethylamino)-1-[3-[[(1S)-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(methylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(propan-2-ylamino)but-2-en-1-one;1-[3-[[(1S)-1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]prop-2-en-1-one (PubChem CID 160596054) has the molecular formula C139H147F5N24O9S5 and a molecular weight of 2553.19 g/mol. Its IUPAC name is tert-butyl 3-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]-[(3-fluorophenyl)methyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxylate;(E)-4-(dimethylamino)-1-[3-[[(1S)-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(methylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(propan-2-ylamino)but-2-en-1-one;1-[3-[[(1S)-1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: tert-butyl 3-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]-[(3-fluorophenyl)methyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxylate;(E)-4-(dimethylamino)-1-[3-[[(1S)-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(methylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(propan-2-ylamino)but-2-en-1-one;1-[3-[[(1S)-1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]prop-2-en-1-one
• PubChem CID: 160596054
• Molecular Formula: C139H147F5N24O9S5
• Molecular Weight: 2553.19 g/mol
• Exact Mass: 2551.03
• IUPAC Name: tert-butyl 3-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]-[(3-fluorophenyl)methyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxylate;(E)-4-(dimethylamino)-1-[3-[[(1S)-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(methylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(propan-2-ylamino)but-2-en-1-one;1-[3-[[(1S)-1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCc2c(sc3ncnc(N[C@H](COCc4ccc(C(F)(F)F)cc4)c4ccccc4)c23)C1.CC(C)(C)OC(=O)N1CCc2c(sc3ncnc(N(Cc4cccc(F)c4)[C@H](COCc4cccc(F)c4)c4ccccc4)c23)C1.CC(C)NC/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@H](C)c4ccccc4)c23)C1.CN(C)C/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@H](COCc4ccccn4)c4ccccc4)c23)C1.CNC/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@H](C)c4ccccc4)c23)C1
• InChI: InChI=1S/C36H36F2N4O3S.C29H32N6O2S.C28H25F3N4O2S.C24H29N5OS.C22H25N5OS/c1-36(2,3)45-35(43)41-16-15-29-31(20-41)46-34-32(29)33(39-23-40-34)42(19-24-9-7-13-27(37)17-24)30(26-11-5-4-6-12-26)22-44-21-25-10-8-14-28(38)18-25;1-34(2)15-8-12-26(36)35-16-13-23-25(17-35)38-29-27(23)28(31-20-32-29)33-24(21-9-4-3-5-10-21)19-37-18-22-11-6-7-14-30-22;1-2-24(36)35-13-12-21-23(14-35)38-27-25(21)26(32-17-33-27)34-22(19-6-4-3-5-7-19)16-37-15-18-8-10-20(11-9-18)28(29,30)31;1-16(2)25-12-7-10-21(30)29-13-11-19-20(14-29)31-24-22(19)23(26-15-27-24)28-17(3)18-8-5-4-6-9-18;1-15(16-7-4-3-5-8-16)26-21-20-17-10-12-27(19(28)9-6-11-23-2)13-18(17)29-22(20)25-14-24-21/h4-14,17-18,23,30H,15-16,19-22H2,1-3H3;3-12,14,20,24H,13,15-19H2,1-2H3,(H,31,32,33);2-11,17,22H,1,12-16H2,(H,32,33,34);4-10,15-17,25H,11-14H2,1-3H3,(H,26,27,28);3-9,14-15,23H,10-13H2,1-2H3,(H,24,25,26)/b;12-8+;;10-7+;9-6+/t30-;24-;22-;17-;15-/m11111/s1
• InChIKey: RDQLWOMNESJFOP-YPLZFRDLSA-N
• XLogP: 26.67
• TPSA: 358.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 40
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2553.19
LogP ≤ 5	26.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]-[(3-fluorophenyl)methyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxylate;(E)-4-(dimethylamino)-1-[3-[[(1S)-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(methylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(propan-2-ylamino)but-2-en-1-one;1-[3-[[(1S)-1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]prop-2-en-1-one?

The IUPAC name of tert-butyl 3-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]-[(3-fluorophenyl)methyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxylate;(E)-4-(dimethylamino)-1-[3-[[(1S)-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(methylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(propan-2-ylamino)but-2-en-1-one;1-[3-[[(1S)-1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]prop-2-en-1-one (CID 160596054) is tert-butyl 3-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]-[(3-fluorophenyl)methyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxylate;(E)-4-(dimethylamino)-1-[3-[[(1S)-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(methylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(propan-2-ylamino)but-2-en-1-one;1-[3-[[(1S)-1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]prop-2-en-1-one.

What is the SMILES notation for tert-butyl 3-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]-[(3-fluorophenyl)methyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxylate;(E)-4-(dimethylamino)-1-[3-[[(1S)-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(methylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(propan-2-ylamino)but-2-en-1-one;1-[3-[[(1S)-1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]prop-2-en-1-one?

The canonical SMILES for tert-butyl 3-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]-[(3-fluorophenyl)methyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxylate;(E)-4-(dimethylamino)-1-[3-[[(1S)-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(methylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(propan-2-ylamino)but-2-en-1-one;1-[3-[[(1S)-1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]prop-2-en-1-one is C=CC(=O)N1CCc2c(sc3ncnc(N[C@H](COCc4ccc(C(F)(F)F)cc4)c4ccccc4)c23)C1.CC(C)(C)OC(=O)N1CCc2c(sc3ncnc(N(Cc4cccc(F)c4)[C@H](COCc4cccc(F)c4)c4ccccc4)c23)C1.CC(C)NC/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@H](C)c4ccccc4)c23)C1.CN(C)C/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@H](COCc4ccccn4)c4ccccc4)c23)C1.CNC/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@H](C)c4ccccc4)c23)C1.

What is the InChIKey of tert-butyl 3-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]-[(3-fluorophenyl)methyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxylate;(E)-4-(dimethylamino)-1-[3-[[(1S)-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(methylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(propan-2-ylamino)but-2-en-1-one;1-[3-[[(1S)-1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]prop-2-en-1-one?

The InChIKey is RDQLWOMNESJFOP-YPLZFRDLSA-N. The full InChI is InChI=1S/C36H36F2N4O3S.C29H32N6O2S.C28H25F3N4O2S.C24H29N5OS.C22H25N5OS/c1-36(2,3)45-35(43)41-16-15-29-31(20-41)46-34-32(29)33(39-23-40-34)42(19-24-9-7-13-27(37)17-24)30(26-11-5-4-6-12-26)22-44-21-25-10-8-14-28(38)18-25;1-34(2)15-8-12-26(36)35-16-13-23-25(17-35)38-29-27(23)28(31-20-32-29)33-24(21-9-4-3-5-10-21)19-37-18-22-11-6-7-14-30-22;1-2-24(36)35-13-12-21-23(14-35)38-27-25(21)26(32-17-33-27)34-22(19-6-4-3-5-7-19)16-37-15-18-8-10-20(11-9-18)28(29,30)31;1-16(2)25-12-7-10-21(30)29-13-11-19-20(14-29)31-24-22(19)23(26-15-27-24)28-17(3)18-8-5-4-6-9-18;1-15(16-7-4-3-5-8-16)26-21-20-17-10-12-27(19(28)9-6-11-23-2)13-18(17)29-22(20)25-14-24-21/h4-14,17-18,23,30H,15-16,19-22H2,1-3H3;3-12,14,20,24H,13,15-19H2,1-2H3,(H,31,32,33);2-11,17,22H,1,12-16H2,(H,32,33,34);4-10,15-17,25H,11-14H2,1-3H3,(H,26,27,28);3-9,14-15,23H,10-13H2,1-2H3,(H,24,25,26)/b;12-8+;;10-7+;9-6+/t30-;24-;22-;17-;15-/m11111/s1.

What are the key properties of tert-butyl 3-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]-[(3-fluorophenyl)methyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxylate;(E)-4-(dimethylamino)-1-[3-[[(1S)-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(methylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(propan-2-ylamino)but-2-en-1-one;1-[3-[[(1S)-1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]prop-2-en-1-one?

tert-butyl 3-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]-[(3-fluorophenyl)methyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxylate;(E)-4-(dimethylamino)-1-[3-[[(1S)-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(methylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(propan-2-ylamino)but-2-en-1-one;1-[3-[[(1S)-1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]prop-2-en-1-one has a molecular weight of 2553.19 g/mol, XLogP of 26.67, 40 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[[(1S)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]-[(3-fluorophenyl)methyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxylate;(E)-4-(dimethylamino)-1-[3-[[(1S)-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-4-(methylamino)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one;(E)-1-[3-[[(1R)-1-phenylethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-(propan-2-ylamino)but-2-en-1-one;1-[3-[[(1S)-1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]prop-2-en-1-one is sourced from PubChem (CID 160596054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).