5-methoxy-2-(6'-methoxy-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl)phenyl 3,5-dimethyl-1,2-oxazole-4-sulfonate
Chemical Structure Depiction of
5-methoxy-2-(6'-methoxy-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl)phenyl 3,5-dimethyl-1,2-oxazole-4-sulfonate
5-methoxy-2-(6'-methoxy-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl)phenyl 3,5-dimethyl-1,2-oxazole-4-sulfonate
Compound characteristics
| Compound ID: | 8015-1544 |
| Compound Name: | 5-methoxy-2-(6'-methoxy-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl)phenyl 3,5-dimethyl-1,2-oxazole-4-sulfonate |
| Molecular Weight: | 567.7 |
| Molecular Formula: | C31 H37 N O7 S |
| Smiles: | Cc1c(c(C)on1)S(=O)(=O)Oc1cc(ccc1C12CCCCC1C1(CCCCC1)c1ccc(cc1O2)OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9793 |
| logD: | 5.9793 |
| logSw: | -5.5267 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.424 |
| InChI Key: | BDMDJOKHUCPXCX-UHFFFAOYSA-N |