G7Q
Summary
| Name: | (2~{R})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide |
| Formula: | C18 H26 F2 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 400.486 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H26F2N4O2S/c1-12(25)14-11-27-17(22-14)23-16(26)15-10-21-7-9-24(15)8-4-13-2-5-18(19,20)6-3-13/h11,13,15,21H,2-10H2,1H3,(H,22,23,26)/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | XAAULFWATXYIOV-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1csc(NC(=O)[C@H]2CNCCN2CCC3CCC(F)(F)CC3)n1 |
| SMILES | CACTVS | 3.385 | CC(=O)c1csc(NC(=O)[CH]2CNCCN2CCC3CCC(F)(F)CC3)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)c1csc(n1)NC(=O)[C@H]2CNCCN2CCC3CCC(CC3)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)c1csc(n1)NC(=O)C2CNCCN2CCC3CCC(CC3)(F)F |
