(2R)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1-ethylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-phenyl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-(1H-pyrazol-4-yl)-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-3-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-4-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyrimidin-5-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
C169H131N29O16S7 — CID 158029851
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(2R)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1-ethylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-phenyl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-(1H-pyrazol-4-yl)-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-3-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-4-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyrimidin-5-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCCn1cc(-c2ccc3c(c2)C(=O)N([C@@H](C(=O)Nc2nccs2)c2ccccc2)C3)cn1.O=C(Nc1nccs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3ccc4c(c3)OCCO4)cc2C1=O.O=C(Nc1nccs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3ccccc3)cc2C1=O.O=C(Nc1nccs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3cccnc3)cc2C1=O.O=C(Nc1nccs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3ccncc3)cc2C1=O.O=C(Nc1nccs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3cn[nH]c3)cc2C1=O.O=C(Nc1nccs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3cncnc3)cc2C1=O
InChIInChI=1S/C27H21N3O4S.C25H19N3O2S.C24H21N5O2S.2C24H18N4O2S.C23H17N5O2S.C22H17N5O2S/c31-25(29-27-28-10-13-35-27)24(17-4-2-1-3-5-17)30-16-20-7-6-18(14-21(20)26(30)32)19-8-9-22-23(15-19)34-12-11-33-22;29-23(27-25-26-13-14-31-25)22(18-9-5-2-6-10-18)28-16-20-12-11-19(15-21(20)24(28)30)17-7-3-1-4-8-17;1-2-28-14-19(13-26-28)17-8-9-18-15-29(23(31)20(18)12-17)21(16-6-4-3-5-7-16)22(30)27-24-25-10-11-32-24;29-22(27-24-26-11-12-31-24)21(16-5-2-1-3-6-16)28-15-19-9-8-17(13-20(19)23(28)30)18-7-4-10-25-14-18;29-22(27-24-26-12-13-31-24)21(17-4-2-1-3-5-17)28-15-19-7-6-18(14-20(19)23(28)30)16-8-10-25-11-9-16;29-21(27-23-26-8-9-31-23)20(15-4-2-1-3-5-15)28-13-17-7-6-16(10-19(17)22(28)30)18-11-24-14-25-12-18;28-20(26-22-23-8-9-30-22)19(14-4-2-1-3-5-14)27-13-16-7-6-15(10-18(16)21(27)29)17-11-24-25-12-17/h1-10,13-15,24H,11-12,16H2,(H,28,29,31);1-15,22H,16H2,(H,26,27,29);3-14,21H,2,15H2,1H3,(H,25,27,30);2*1-14,21H,15H2,(H,26,27,29);1-12,14,20H,13H2,(H,26,27,29);1-12,19H,13H2,(H,24,25)(H,23,26,28)/t24-;22-;3*21-;20-;19-/m1111111/s1
InChIKeyFHAYITAXKOULAV-NPNWASKWSA-N
MW3048.56 g/mol
LogP31.31
Rot. Bonds36
About (2R)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1-ethylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-phenyl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-(1H-pyrazol-4-yl)-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-3-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-4-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyrimidin-5-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
(2R)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1-ethylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-phenyl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-(1H-pyrazol-4-yl)-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-3-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-4-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyrimidin-5-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 158029851) has the molecular formula C169H131N29O16S7 and a molecular weight of 3048.56 g/mol. Its IUPAC name is (2R)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1-ethylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-phenyl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-(1H-pyrazol-4-yl)-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-3-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-4-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyrimidin-5-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.
Molecular Properties
| Compound Name | (2R)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1-ethylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-phenyl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-(1H-pyrazol-4-yl)-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-3-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-4-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyrimidin-5-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide |
|---|---|
| PubChem CID | 158029851 |
| Molecular Formula | C169H131N29O16S7 |
| Molecular Weight | 3048.56 g/mol |
| Exact Mass | 3045.84 |
| IUPAC Name | (2R)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1-ethylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-phenyl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-(1H-pyrazol-4-yl)-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-3-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-4-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyrimidin-5-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide |
| SMILES | CCn1cc(-c2ccc3c(c2)C(=O)N([C@@H](C(=O)Nc2nccs2)c2ccccc2)C3)cn1.O=C(Nc1nccs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3ccc4c(c3)OCCO4)cc2C1=O.O=C(Nc1nccs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3ccccc3)cc2C1=O.O=C(Nc1nccs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3cccnc3)cc2C1=O.O=C(Nc1nccs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3ccncc3)cc2C1=O.O=C(Nc1nccs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3cn[nH]c3)cc2C1=O.O=C(Nc1nccs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3cncnc3)cc2C1=O |
| InChI | InChI=1S/C27H21N3O4S.C25H19N3O2S.C24H21N5O2S.2C24H18N4O2S.C23H17N5O2S.C22H17N5O2S/c31-25(29-27-28-10-13-35-27)24(17-4-2-1-3-5-17)30-16-20-7-6-18(14-21(20)26(30)32)19-8-9-22-23(15-19)34-12-11-33-22;29-23(27-25-26-13-14-31-25)22(18-9-5-2-6-10-18)28-16-20-12-11-19(15-21(20)24(28)30)17-7-3-1-4-8-17;1-2-28-14-19(13-26-28)17-8-9-18-15-29(23(31)20(18)12-17)21(16-6-4-3-5-7-16)22(30)27-24-25-10-11-32-24;29-22(27-24-26-11-12-31-24)21(16-5-2-1-3-6-16)28-15-19-9-8-17(13-20(19)23(28)30)18-7-4-10-25-14-18;29-22(27-24-26-12-13-31-24)21(17-4-2-1-3-5-17)28-15-19-7-6-18(14-20(19)23(28)30)16-8-10-25-11-9-16;29-21(27-23-26-8-9-31-23)20(15-4-2-1-3-5-15)28-13-17-7-6-16(10-19(17)22(28)30)18-11-24-14-25-12-18;28-20(26-22-23-8-9-30-22)19(14-4-2-1-3-5-14)27-13-16-7-6-15(10-18(16)21(27)29)17-11-24-25-12-17/h1-10,13-15,24H,11-12,16H2,(H,28,29,31);1-15,22H,16H2,(H,26,27,29);3-14,21H,2,15H2,1H3,(H,25,27,30);2*1-14,21H,15H2,(H,26,27,29);1-12,14,20H,13H2,(H,26,27,29);1-12,19H,13H2,(H,24,25)(H,23,26,28)/t24-;22-;3*21-;20-;19-/m1111111/s1 |
| InChIKey | FHAYITAXKOULAV-NPNWASKWSA-N |
| XLogP | 31.31 |
| TPSA | 552.62 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 221 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3048.56 |
| LogP ≤ 5 | 31.31 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 37 |
Frequently Asked Questions
What is the IUPAC name of (2R)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1-ethylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-phenyl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-(1H-pyrazol-4-yl)-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-3-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-4-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyrimidin-5-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of (2R)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1-ethylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-phenyl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-(1H-pyrazol-4-yl)-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-3-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-4-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyrimidin-5-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (CID 158029851) is (2R)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1-ethylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-phenyl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-(1H-pyrazol-4-yl)-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-3-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-4-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyrimidin-5-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for (2R)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1-ethylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-phenyl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-(1H-pyrazol-4-yl)-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-3-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-4-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyrimidin-5-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for (2R)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1-ethylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-phenyl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-(1H-pyrazol-4-yl)-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-3-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-4-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyrimidin-5-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is CCn1cc(-c2ccc3c(c2)C(=O)N([C@@H](C(=O)Nc2nccs2)c2ccccc2)C3)cn1.O=C(Nc1nccs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3ccc4c(c3)OCCO4)cc2C1=O.O=C(Nc1nccs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3ccccc3)cc2C1=O.O=C(Nc1nccs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3cccnc3)cc2C1=O.O=C(Nc1nccs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3ccncc3)cc2C1=O.O=C(Nc1nccs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3cn[nH]c3)cc2C1=O.O=C(Nc1nccs1)[C@@H](c1ccccc1)N1Cc2ccc(-c3cncnc3)cc2C1=O.
What is the InChIKey of (2R)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1-ethylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-phenyl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-(1H-pyrazol-4-yl)-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-3-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-4-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyrimidin-5-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is FHAYITAXKOULAV-NPNWASKWSA-N. The full InChI is InChI=1S/C27H21N3O4S.C25H19N3O2S.C24H21N5O2S.2C24H18N4O2S.C23H17N5O2S.C22H17N5O2S/c31-25(29-27-28-10-13-35-27)24(17-4-2-1-3-5-17)30-16-20-7-6-18(14-21(20)26(30)32)19-8-9-22-23(15-19)34-12-11-33-22;29-23(27-25-26-13-14-31-25)22(18-9-5-2-6-10-18)28-16-20-12-11-19(15-21(20)24(28)30)17-7-3-1-4-8-17;1-2-28-14-19(13-26-28)17-8-9-18-15-29(23(31)20(18)12-17)21(16-6-4-3-5-7-16)22(30)27-24-25-10-11-32-24;29-22(27-24-26-11-12-31-24)21(16-5-2-1-3-6-16)28-15-19-9-8-17(13-20(19)23(28)30)18-7-4-10-25-14-18;29-22(27-24-26-12-13-31-24)21(17-4-2-1-3-5-17)28-15-19-7-6-18(14-20(19)23(28)30)16-8-10-25-11-9-16;29-21(27-23-26-8-9-31-23)20(15-4-2-1-3-5-15)28-13-17-7-6-16(10-19(17)22(28)30)18-11-24-14-25-12-18;28-20(26-22-23-8-9-30-22)19(14-4-2-1-3-5-14)27-13-16-7-6-15(10-18(16)21(27)29)17-11-24-25-12-17/h1-10,13-15,24H,11-12,16H2,(H,28,29,31);1-15,22H,16H2,(H,26,27,29);3-14,21H,2,15H2,1H3,(H,25,27,30);2*1-14,21H,15H2,(H,26,27,29);1-12,14,20H,13H2,(H,26,27,29);1-12,19H,13H2,(H,24,25)(H,23,26,28)/t24-;22-;3*21-;20-;19-/m1111111/s1.
What are the key properties of (2R)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1-ethylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-phenyl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-(1H-pyrazol-4-yl)-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-3-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-4-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyrimidin-5-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
(2R)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1-ethylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-phenyl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-(1H-pyrazol-4-yl)-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-3-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-4-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyrimidin-5-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 3048.56 g/mol, XLogP of 31.31, 36 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1-ethylpyrazol-4-yl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-phenyl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-(1H-pyrazol-4-yl)-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-3-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyridin-4-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-(3-oxo-5-pyrimidin-5-yl-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 158029851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158029851 — identifiers, structure, computed properties (public domain)
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