F6T
概要
| 表記: | (3~{S})-3-[2,6-bis(fluoranyl)phenyl]-~{N}-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide |
| 組成式: | C18 H17 F2 N3 O2 |
| 電荷: | 0 |
| 化学式量: | 345.343 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 | (3~{S})-3-[2,6-bis(fluoranyl)phenyl]-~{N}-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide |
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/C18H17F2N3O2/c1-10(17-12(19)3-2-4-13(17)20)7-16(24)21-9-11-5-6-14-15(8-11)23-18(25)22-14/h2-6,8,10H,7,9H2,1H3,(H,21,24)(H2,22,23,25)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | VDLFVZUKOKPJRH-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CC(=O)NCc1ccc2NC(=O)Nc2c1)c3c(F)cccc3F |
| SMILES | CACTVS | 3.385 | C[CH](CC(=O)NCc1ccc2NC(=O)Nc2c1)c3c(F)cccc3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3c(cccc3F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3c(cccc3F)F |
