5-methoxy-2-(6'-methoxy-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl)phenyl 2,1,3-benzothiadiazole-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 2,1,3-benzothiadiazole-4-sulfonate
5-methoxy-2-(6'-methoxy-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl)phenyl 2,1,3-benzothiadiazole-4-sulfonate
Compound characteristics
| Compound ID: | 8015-1543 |
| Compound Name: | 5-methoxy-2-(6'-methoxy-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl)phenyl 2,1,3-benzothiadiazole-4-sulfonate |
| Molecular Weight: | 606.76 |
| Molecular Formula: | C32 H34 N2 O6 S2 |
| Smiles: | COc1ccc2c(c1)OC1(CCCCC1C21CCCCC1)c1ccc(cc1OS(c1cccc2c1nsn2)(=O)=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.1921 |
| logD: | 7.1921 |
| logSw: | -5.7995 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.338 |
| InChI Key: | JVFGHEZFQDHMGH-UHFFFAOYSA-N |