C139H114FN21O7S2 — CID 158146830
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-pyridazin-4-ylphenyl)acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-N-methyl-2-(4-pyridin-4-ylphenyl)acetamide;N-[5-(3-methylphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenylpyrimidin-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-pyridin-3-ylphenyl)acetamide;2-(4-pyridazin-4-ylphenyl)-N-(4-pyridin-3-ylphenyl)acetamide (PubChem CID 158146830) has the molecular formula C139H114FN21O7S2 and a molecular weight of 2273.71 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-pyridazin-4-ylphenyl)acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-N-methyl-2-(4-pyridin-4-ylphenyl)acetamide;N-[5-(3-methylphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenylpyrimidin-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-pyridin-3-ylphenyl)acetamide;2-(4-pyridazin-4-ylphenyl)-N-(4-pyridin-3-ylphenyl)acetamide.
| Compound Name | N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-pyridazin-4-ylphenyl)acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-N-methyl-2-(4-pyridin-4-ylphenyl)acetamide;N-[5-(3-methylphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenylpyrimidin-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-pyridin-3-ylphenyl)acetamide;2-(4-pyridazin-4-ylphenyl)-N-(4-pyridin-3-ylphenyl)acetamide |
|---|---|
| PubChem CID | 158146830 |
| Molecular Formula | C139H114FN21O7S2 |
| Molecular Weight | 2273.71 g/mol |
| Exact Mass | 2271.86 |
| IUPAC Name | N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-pyridazin-4-ylphenyl)acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-N-methyl-2-(4-pyridin-4-ylphenyl)acetamide;N-[5-(3-methylphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenylpyrimidin-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-pyridin-3-ylphenyl)acetamide;2-(4-pyridazin-4-ylphenyl)-N-(4-pyridin-3-ylphenyl)acetamide |
| SMILES | COc1ccc2nc(N(C)C(=O)Cc3ccc(-c4ccncc4)cc3)sc2c1.Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1.Cc1cc(-c2ccc(CC(=O)Nc3ncc(-c4ccccc4)cn3)cc2)ccn1.Cc1cccc(-c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)cc3)nc2)c1.O=C(Cc1ccc(-c2ccnnc2)cc1)Nc1ccc(-c2cccnc2)cc1.O=C(Cc1ccc(-c2ccnnc2)cc1)Nc1nc2ccc(F)cc2s1 |
| InChI | InChI=1S/C26H23N3O.C25H21N3O.C24H20N4O.C23H18N4O.C22H19N3O2S.C19H13FN4OS/c1-18-4-3-5-22(14-18)24-10-11-25(28-17-24)29-26(30)16-20-6-8-21(9-7-20)23-12-13-27-19(2)15-23;1-18-15-22(12-14-27-18)20-6-4-19(5-7-20)16-25(29)28-24-10-8-21(9-11-24)23-3-2-13-26-17-23;1-17-13-21(11-12-25-17)20-9-7-18(8-10-20)14-23(29)28-24-26-15-22(16-27-24)19-5-3-2-4-6-19;28-23(14-17-3-5-18(6-4-17)21-11-13-25-26-16-21)27-22-9-7-19(8-10-22)20-2-1-12-24-15-20;1-25(22-24-19-8-7-18(27-2)14-20(19)28-22)21(26)13-15-3-5-16(6-4-15)17-9-11-23-12-10-17;20-15-5-6-16-17(10-15)26-19(23-16)24-18(25)9-12-1-3-13(4-2-12)14-7-8-21-22-11-14/h3-15,17H,16H2,1-2H3,(H,28,29,30);2-15,17H,16H2,1H3,(H,28,29);2-13,15-16H,14H2,1H3,(H,26,27,28,29);1-13,15-16H,14H2,(H,27,28);3-12,14H,13H2,1-2H3;1-8,10-11H,9H2,(H,23,24,25) |
| InChIKey | FUPURUUPFGCVES-UHFFFAOYSA-N |
| XLogP | 28.64 |
| TPSA | 368.39 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 170 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2273.71 |
| LogP ≤ 5 | 28.64 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 24 |