2,2,7,7-tetramethyl-N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
Chemical Structure Depiction of
2,2,7,7-tetramethyl-N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
2,2,7,7-tetramethyl-N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide
Compound characteristics
| Compound ID: | K063-0084 |
| Compound Name: | 2,2,7,7-tetramethyl-N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]tetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide |
| Molecular Weight: | 485.41 |
| Molecular Formula: | C22 H22 F3 N O8 |
| Smiles: | CC1(C)OC2C(C(Nc3ccc4C(=CC(=O)Oc4c3)C(F)(F)F)=O)OC3C(C2O1)OC(C)(C)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8793 |
| logD: | 2.8786 |
| logSw: | -3.5333 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.582 |
| InChI Key: | TVQIZIXYJMVFBK-UHFFFAOYSA-N |