N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]tetrahydro-3'aH-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carbohydrazide
Chemical Structure Depiction of
N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]tetrahydro-3'aH-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carbohydrazide
N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]tetrahydro-3'aH-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carbohydrazide
Compound characteristics
| Compound ID: | K067-0055 |
| Compound Name: | N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]tetrahydro-3'aH-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carbohydrazide |
| Molecular Weight: | 628.46 |
| Molecular Formula: | C26 H33 I N2 O8 |
| Smiles: | COc1cc(\C=N/NC(C2C3C(C4C(O2)OC2(CCCCC2)O4)OC2(CCCCC2)O3)=O)cc(c1O)I |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6407 |
| logD: | 4.5903 |
| logSw: | -4.2137 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.279 |
| InChI Key: | PGKNQBWYPMQJNS-UHFFFAOYSA-N |