XBH
概要
| 表記: | ~{N}-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine |
| 組成式: | C19 H16 F3 N3 S |
| 電荷: | 0 |
| 化学式量: | 375.411 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 | 2.0.7 | ~{N}-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine |
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 | 1.06 | InChI=1S/C19H16F3N3S/c20-19(21,22)17-9-15(7-8-23-17)24-10-16-11-25-18(26-16)14-5-3-13(4-6-14)12-1-2-12/h3-9,11-12H,1-2,10H2,(H,23,24) |
| InChIKey | InChI | 1.06 | MNFFCZFIFAZOEV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cc(NCc2sc(nc2)c3ccc(cc3)C4CC4)ccn1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1cc(NCc2sc(nc2)c3ccc(cc3)C4CC4)ccn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ncc(s2)CNc3ccnc(c3)C(F)(F)F)C4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ncc(s2)CNc3ccnc(c3)C(F)(F)F)C4CC4 |
