5-methoxy-2-(6'-methoxy-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl)phenyl thiophene-2-carboxylate
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 thiophene-2-carboxylate
5-methoxy-2-(6'-methoxy-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl)phenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8015-1537 |
| Compound Name: | 5-methoxy-2-(6'-methoxy-1',3',4',9'a-tetrahydrospiro[cyclohexane-1,9'-xanthen]-4'a(2'H)-yl)phenyl thiophene-2-carboxylate |
| Molecular Weight: | 518.67 |
| Molecular Formula: | C31 H34 O5 S |
| Smiles: | COc1ccc(c(c1)OC(c1cccs1)=O)C12CCCCC1C1(CCCCC1)c1ccc(cc1O2)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.5872 |
| logD: | 7.5872 |
| logSw: | -5.6697 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.02 |
| InChI Key: | AFHVWKPPAXORSD-UHFFFAOYSA-N |