GJ5
概要
| 表記: | 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
| 組成式: | C17 H19 F3 N2 O S |
| 電荷: | 0 |
| 化学式量: | 356.406 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.6 | 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C17H19F3N2OS/c1-11(2)9-15-22-14(10-24-15)12-3-5-13(6-4-12)16(23)21-8-7-17(18,19)20/h3-6,10-11H,7-9H2,1-2H3,(H,21,23) |
| InChIKey | InChI | 1.03 | UBQMCDSKFNKYKI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Cc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F |
| SMILES | CACTVS | 3.385 | CC(C)Cc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F |
