2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[6-[4-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
C169H213N23O20S4 — CID 158768998
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[6-[4-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(C)(C)C1CN(CCOCCOCCN2CCN(c3ccc(-c4ccc5c(c4)C(=O)N(C(C(=O)Nc4nccs4)c4ccccc4)C5)cc3)CC2)C1.CC(C)(C)C1CN(CCOCCOCCOCCN2CCN(c3ccc(-c4ccc5c(c4)C(=O)N(C(C(=O)Nc4nccs4)c4ccccc4)C5)cc3)CC2)C1.CC(C)(C)CCOCCOCCOCCN1CCN(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ccccc3)C4)cn2)CC1.CC(C)(C)CCOCCOCCOCCOCCN1CCN(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ccccc3)C4)cc2)CC1
InChIInChI=1S/C44H56N6O5S.C43H55N5O6S.C42H52N6O4S.C40H50N6O5S/c1-44(2,3)37-31-48(32-37)21-23-54-25-27-55-26-24-53-22-20-47-16-18-49(19-17-47)38-13-11-33(12-14-38)35-9-10-36-30-50(42(52)39(36)29-35)40(34-7-5-4-6-8-34)41(51)46-43-45-15-28-56-43;1-43(2,3)15-22-51-24-26-53-28-29-54-27-25-52-23-21-46-17-19-47(20-18-46)37-13-11-33(12-14-37)35-9-10-36-32-48(41(50)38(36)31-35)39(34-7-5-4-6-8-34)40(49)45-42-44-16-30-55-42;1-42(2,3)35-29-46(30-35)21-23-52-25-24-51-22-20-45-16-18-47(19-17-45)36-13-11-31(12-14-36)33-9-10-34-28-48(40(50)37(34)27-33)38(32-7-5-4-6-8-32)39(49)44-41-43-15-26-53-41;1-40(2,3)13-20-49-22-24-51-25-23-50-21-19-44-15-17-45(18-16-44)35-12-11-32(28-42-35)31-9-10-33-29-46(38(48)34(33)27-31)36(30-7-5-4-6-8-30)37(47)43-39-41-14-26-52-39/h4-15,28-29,37,40H,16-27,30-32H2,1-3H3,(H,45,46,51);4-14,16,30-31,39H,15,17-29,32H2,1-3H3,(H,44,45,49);4-15,26-27,35,38H,16-25,28-30H2,1-3H3,(H,43,44,49);4-12,14,26-28,36H,13,15-25,29H2,1-3H3,(H,41,43,47)
InChIKeyIPQAGFJPCRIVHY-UHFFFAOYSA-N
MW3014.97 g/mol
LogP25.49
Rot. Bonds70
About 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[6-[4-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[6-[4-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 158768998) has the molecular formula C169H213N23O20S4 and a molecular weight of 3014.97 g/mol. Its IUPAC name is 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[6-[4-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.
Molecular Properties
| Compound Name | 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[6-[4-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide |
|---|---|
| PubChem CID | 158768998 |
| Molecular Formula | C169H213N23O20S4 |
| Molecular Weight | 3014.97 g/mol |
| Exact Mass | 3012.52 |
| IUPAC Name | 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[6-[4-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide |
| SMILES | CC(C)(C)C1CN(CCOCCOCCN2CCN(c3ccc(-c4ccc5c(c4)C(=O)N(C(C(=O)Nc4nccs4)c4ccccc4)C5)cc3)CC2)C1.CC(C)(C)C1CN(CCOCCOCCOCCN2CCN(c3ccc(-c4ccc5c(c4)C(=O)N(C(C(=O)Nc4nccs4)c4ccccc4)C5)cc3)CC2)C1.CC(C)(C)CCOCCOCCOCCN1CCN(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ccccc3)C4)cn2)CC1.CC(C)(C)CCOCCOCCOCCOCCN1CCN(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ccccc3)C4)cc2)CC1 |
| InChI | InChI=1S/C44H56N6O5S.C43H55N5O6S.C42H52N6O4S.C40H50N6O5S/c1-44(2,3)37-31-48(32-37)21-23-54-25-27-55-26-24-53-22-20-47-16-18-49(19-17-47)38-13-11-33(12-14-38)35-9-10-36-30-50(42(52)39(36)29-35)40(34-7-5-4-6-8-34)41(51)46-43-45-15-28-56-43;1-43(2,3)15-22-51-24-26-53-28-29-54-27-25-52-23-21-46-17-19-47(20-18-46)37-13-11-33(12-14-37)35-9-10-36-32-48(41(50)38(36)31-35)39(34-7-5-4-6-8-34)40(49)45-42-44-16-30-55-42;1-42(2,3)35-29-46(30-35)21-23-52-25-24-51-22-20-45-16-18-47(19-17-45)36-13-11-31(12-14-36)33-9-10-34-28-48(40(50)37(34)27-33)38(32-7-5-4-6-8-32)39(49)44-41-43-15-26-53-41;1-40(2,3)13-20-49-22-24-51-25-23-50-21-19-44-15-17-45(18-16-44)35-12-11-32(28-42-35)31-9-10-33-29-46(38(48)34(33)27-31)36(30-7-5-4-6-8-30)37(47)43-39-41-14-26-52-39/h4-15,28-29,37,40H,16-27,30-32H2,1-3H3,(H,45,46,51);4-14,16,30-31,39H,15,17-29,32H2,1-3H3,(H,44,45,49);4-15,26-27,35,38H,16-25,28-30H2,1-3H3,(H,43,44,49);4-12,14,26-28,36H,13,15-25,29H2,1-3H3,(H,41,43,47) |
| InChIKey | IPQAGFJPCRIVHY-UHFFFAOYSA-N |
| XLogP | 25.49 |
| TPSA | 405.25 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 70 |
| Heavy Atoms | 216 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3014.97 |
| LogP ≤ 5 | 25.49 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 39 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[6-[4-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[6-[4-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (CID 158768998) is 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[6-[4-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[6-[4-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[6-[4-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is CC(C)(C)C1CN(CCOCCOCCN2CCN(c3ccc(-c4ccc5c(c4)C(=O)N(C(C(=O)Nc4nccs4)c4ccccc4)C5)cc3)CC2)C1.CC(C)(C)C1CN(CCOCCOCCOCCN2CCN(c3ccc(-c4ccc5c(c4)C(=O)N(C(C(=O)Nc4nccs4)c4ccccc4)C5)cc3)CC2)C1.CC(C)(C)CCOCCOCCOCCN1CCN(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ccccc3)C4)cn2)CC1.CC(C)(C)CCOCCOCCOCCOCCN1CCN(c2ccc(-c3ccc4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ccccc3)C4)cc2)CC1.
What is the InChIKey of 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[6-[4-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is IPQAGFJPCRIVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H56N6O5S.C43H55N5O6S.C42H52N6O4S.C40H50N6O5S/c1-44(2,3)37-31-48(32-37)21-23-54-25-27-55-26-24-53-22-20-47-16-18-49(19-17-47)38-13-11-33(12-14-38)35-9-10-36-30-50(42(52)39(36)29-35)40(34-7-5-4-6-8-34)41(51)46-43-45-15-28-56-43;1-43(2,3)15-22-51-24-26-53-28-29-54-27-25-52-23-21-46-17-19-47(20-18-46)37-13-11-33(12-14-37)35-9-10-36-32-48(41(50)38(36)31-35)39(34-7-5-4-6-8-34)40(49)45-42-44-16-30-55-42;1-42(2,3)35-29-46(30-35)21-23-52-25-24-51-22-20-45-16-18-47(19-17-45)36-13-11-31(12-14-36)33-9-10-34-28-48(40(50)37(34)27-33)38(32-7-5-4-6-8-32)39(49)44-41-43-15-26-53-41;1-40(2,3)13-20-49-22-24-51-25-23-50-21-19-44-15-17-45(18-16-44)35-12-11-32(28-42-35)31-9-10-33-29-46(38(48)34(33)27-31)36(30-7-5-4-6-8-30)37(47)43-39-41-14-26-52-39/h4-15,28-29,37,40H,16-27,30-32H2,1-3H3,(H,45,46,51);4-14,16,30-31,39H,15,17-29,32H2,1-3H3,(H,44,45,49);4-15,26-27,35,38H,16-25,28-30H2,1-3H3,(H,43,44,49);4-12,14,26-28,36H,13,15-25,29H2,1-3H3,(H,41,43,47).
What are the key properties of 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[6-[4-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[6-[4-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 3014.97 g/mol, XLogP of 25.49, 70 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[4-[2-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-(3-tert-butylazetidin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[4-[4-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-[6-[4-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]-3-pyridinyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 158768998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158768998 — identifiers, structure, computed properties (public domain)
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