N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]tetrahydro-3'aH-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carboxamide
Chemical Structure Depiction of
N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]tetrahydro-3'aH-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carboxamide
N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]tetrahydro-3'aH-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carboxamide
Compound characteristics
| Compound ID: | K063-0083 |
| Compound Name: | N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]tetrahydro-3'aH-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carboxamide |
| Molecular Weight: | 565.54 |
| Molecular Formula: | C28 H30 F3 N O8 |
| Smiles: | C1CCC2(CC1)OC1C(C(Nc3ccc4C(=CC(=O)Oc4c3)C(F)(F)F)=O)OC3C(C1O2)OC1(CCCCC1)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.287 |
| logD: | 4.2864 |
| logSw: | -4.3831 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.353 |
| InChI Key: | PXWZWKCKEUUHNM-UHFFFAOYSA-N |