GFQ
概要
| 表記: | 4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
| 組成式: | C19 H23 F3 N2 O S |
| 電荷: | 0 |
| 化学式量: | 384.459 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-(4-methylpentyl)-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/C19H23F3N2OS/c1-13(2)4-3-5-17-24-16(12-26-17)14-6-8-15(9-7-14)18(25)23-11-10-19(20,21)22/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25) |
| InChIKey | InChI | 1.03 | KTLILWGHLTVHAZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CCCc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F |
| SMILES | CACTVS | 3.385 | CC(C)CCCc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)CCCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)CCCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F |
