(E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenyl)-1-oxopropan-2-yl]-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
C178H171F12N19O8S2 — CID 159529746
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenyl)-1-oxopropan-2-yl]-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCC(C)(C)c1ccc(C[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)N(Cc2ccc(N3CCN(c4ccccc4)CC3)cc2)C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1.O=C([C@H](Cc1c[nH]c2ccccc12)N(Cc1ccc(-c2ccccn2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1.O=C([C@H](Cc1csc2ccccc12)N(Cc1ccc(-c2ccccn2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1.O=C([C@H](Cc1cscn1)N(Cc1ccc(-c2ccccn2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C51H56F3N5O2.C44H40F3N5O2.C44H39F3N4O2S.C39H36F3N5O2S/c1-50(2,3)43-21-16-40(17-22-43)36-47(49(61)58-30-28-55(29-31-58)37-41-10-6-4-7-11-41)59(48(60)27-20-39-14-23-44(24-15-39)51(52,53)54)38-42-18-25-46(26-19-42)57-34-32-56(33-35-57)45-12-8-5-9-13-45;45-44(46,47)37-20-15-32(16-21-37)17-22-42(53)52(31-34-13-18-35(19-14-34)39-11-6-7-23-48-39)41(28-36-29-49-40-12-5-4-10-38(36)40)43(54)51-26-24-50(25-27-51)30-33-8-2-1-3-9-33;45-44(46,47)37-20-15-32(16-21-37)17-22-42(52)51(30-34-13-18-35(19-14-34)39-11-6-7-23-48-39)40(28-36-31-54-41-12-5-4-10-38(36)41)43(53)50-26-24-49(25-27-50)29-33-8-2-1-3-9-33;40-39(41,42)33-16-11-29(12-17-33)13-18-37(48)47(26-31-9-14-32(15-10-31)35-8-4-5-19-43-35)36(24-34-27-50-28-44-34)38(49)46-22-20-45(21-23-46)25-30-6-2-1-3-7-30/h4-27,47H,28-38H2,1-3H3;1-23,29,41,49H,24-28,30-31H2;1-23,31,40H,24-30H2;1-19,27-28,36H,20-26H2/b27-20+;2*22-17+;18-13+/t47-;41-;40-;36-/m0000/s1
InChIKeyMCVLURFNGHNCJS-MDUISBHASA-N
MW2996.56 g/mol
LogP33.78
Rot. Bonds45
About (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenyl)-1-oxopropan-2-yl]-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
(E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenyl)-1-oxopropan-2-yl]-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 159529746) has the molecular formula C178H171F12N19O8S2 and a molecular weight of 2996.56 g/mol. Its IUPAC name is (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenyl)-1-oxopropan-2-yl]-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.
Molecular Properties
| Compound Name | (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenyl)-1-oxopropan-2-yl]-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide |
|---|---|
| PubChem CID | 159529746 |
| Molecular Formula | C178H171F12N19O8S2 |
| Molecular Weight | 2996.56 g/mol |
| Exact Mass | 2994.28 |
| IUPAC Name | (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenyl)-1-oxopropan-2-yl]-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide |
| SMILES | CC(C)(C)c1ccc(C[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)N(Cc2ccc(N3CCN(c4ccccc4)CC3)cc2)C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1.O=C([C@H](Cc1c[nH]c2ccccc12)N(Cc1ccc(-c2ccccn2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1.O=C([C@H](Cc1csc2ccccc12)N(Cc1ccc(-c2ccccn2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1.O=C([C@H](Cc1cscn1)N(Cc1ccc(-c2ccccn2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1 |
| InChI | InChI=1S/C51H56F3N5O2.C44H40F3N5O2.C44H39F3N4O2S.C39H36F3N5O2S/c1-50(2,3)43-21-16-40(17-22-43)36-47(49(61)58-30-28-55(29-31-58)37-41-10-6-4-7-11-41)59(48(60)27-20-39-14-23-44(24-15-39)51(52,53)54)38-42-18-25-46(26-19-42)57-34-32-56(33-35-57)45-12-8-5-9-13-45;45-44(46,47)37-20-15-32(16-21-37)17-22-42(53)52(31-34-13-18-35(19-14-34)39-11-6-7-23-48-39)41(28-36-29-49-40-12-5-4-10-38(36)40)43(54)51-26-24-50(25-27-51)30-33-8-2-1-3-9-33;45-44(46,47)37-20-15-32(16-21-37)17-22-42(52)51(30-34-13-18-35(19-14-34)39-11-6-7-23-48-39)40(28-36-31-54-41-12-5-4-10-38(36)41)43(53)50-26-24-49(25-27-50)29-33-8-2-1-3-9-33;40-39(41,42)33-16-11-29(12-17-33)13-18-37(48)47(26-31-9-14-32(15-10-31)35-8-4-5-19-43-35)36(24-34-27-50-28-44-34)38(49)46-22-20-45(21-23-46)25-30-6-2-1-3-7-30/h4-27,47H,28-38H2,1-3H3;1-23,29,41,49H,24-28,30-31H2;1-23,31,40H,24-30H2;1-19,27-28,36H,20-26H2/b27-20+;2*22-17+;18-13+/t47-;41-;40-;36-/m0000/s1 |
| InChIKey | MCVLURFNGHNCJS-MDUISBHASA-N |
| XLogP | 33.78 |
| TPSA | 249.27 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 219 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2996.56 |
| LogP ≤ 5 | 33.78 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 20 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenyl)-1-oxopropan-2-yl]-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenyl)-1-oxopropan-2-yl]-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 159529746) is (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenyl)-1-oxopropan-2-yl]-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenyl)-1-oxopropan-2-yl]-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenyl)-1-oxopropan-2-yl]-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is CC(C)(C)c1ccc(C[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)N(Cc2ccc(N3CCN(c4ccccc4)CC3)cc2)C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1.O=C([C@H](Cc1c[nH]c2ccccc12)N(Cc1ccc(-c2ccccn2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1.O=C([C@H](Cc1csc2ccccc12)N(Cc1ccc(-c2ccccn2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1.O=C([C@H](Cc1cscn1)N(Cc1ccc(-c2ccccn2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenyl)-1-oxopropan-2-yl]-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is MCVLURFNGHNCJS-MDUISBHASA-N. The full InChI is InChI=1S/C51H56F3N5O2.C44H40F3N5O2.C44H39F3N4O2S.C39H36F3N5O2S/c1-50(2,3)43-21-16-40(17-22-43)36-47(49(61)58-30-28-55(29-31-58)37-41-10-6-4-7-11-41)59(48(60)27-20-39-14-23-44(24-15-39)51(52,53)54)38-42-18-25-46(26-19-42)57-34-32-56(33-35-57)45-12-8-5-9-13-45;45-44(46,47)37-20-15-32(16-21-37)17-22-42(53)52(31-34-13-18-35(19-14-34)39-11-6-7-23-48-39)41(28-36-29-49-40-12-5-4-10-38(36)40)43(54)51-26-24-50(25-27-51)30-33-8-2-1-3-9-33;45-44(46,47)37-20-15-32(16-21-37)17-22-42(52)51(30-34-13-18-35(19-14-34)39-11-6-7-23-48-39)40(28-36-31-54-41-12-5-4-10-38(36)41)43(53)50-26-24-49(25-27-50)29-33-8-2-1-3-9-33;40-39(41,42)33-16-11-29(12-17-33)13-18-37(48)47(26-31-9-14-32(15-10-31)35-8-4-5-19-43-35)36(24-34-27-50-28-44-34)38(49)46-22-20-45(21-23-46)25-30-6-2-1-3-7-30/h4-27,47H,28-38H2,1-3H3;1-23,29,41,49H,24-28,30-31H2;1-23,31,40H,24-30H2;1-19,27-28,36H,20-26H2/b27-20+;2*22-17+;18-13+/t47-;41-;40-;36-/m0000/s1.
What are the key properties of (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenyl)-1-oxopropan-2-yl]-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenyl)-1-oxopropan-2-yl]-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 2996.56 g/mol, XLogP of 33.78, 45 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-3-(1-benzothiophen-3-yl)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-tert-butylphenyl)-1-oxopropan-2-yl]-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 159529746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 159529746 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.