N'-(4-tert-butylbenzene-1-sulfonyl)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'-(4-tert-butylbenzene-1-sulfonyl)tetrahydro-3'aH-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carbohydrazide
N'-(4-tert-butylbenzene-1-sulfonyl)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: | K068-0003 |
| Compound Name: | N'-(4-tert-butylbenzene-1-sulfonyl)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: | 564.7 |
| Molecular Formula: | C28 H40 N2 O8 S |
| Smiles: | CC(C)(C)c1ccc(cc1)S(NNC(C1C2C(C3C(O1)OC1(CCCCC1)O3)OC1(CCCCC1)O2)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5293 |
| logD: | 4.5286 |
| logSw: | -4.2003 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.324 |
| InChI Key: | XYEJYCGNJALPOJ-UHFFFAOYSA-N |