10-(3-ethoxy-4-hydroxyphenyl)-7-(4-methylphenyl)-3,4a,5,5a,8a,9,9a,10-octahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(7H)-trione
Chemical Structure Depiction of
10-(3-ethoxy-4-hydroxyphenyl)-7-(4-methylphenyl)-3,4a,5,5a,8a,9,9a,10-octahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(7H)-trione
10-(3-ethoxy-4-hydroxyphenyl)-7-(4-methylphenyl)-3,4a,5,5a,8a,9,9a,10-octahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(7H)-trione
Compound characteristics
| Compound ID: | D008-0040 |
| Compound Name: | 10-(3-ethoxy-4-hydroxyphenyl)-7-(4-methylphenyl)-3,4a,5,5a,8a,9,9a,10-octahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(7H)-trione |
| Molecular Weight: | 534.65 |
| Molecular Formula: | C28 H26 N2 O5 S2 |
| Smiles: | CCOc1cc(ccc1O)C1C2C3CC(C4C3C(N(C4=O)c3ccc(C)cc3)=O)C2SC2=C1SC(N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9897 |
| logD: | 3.9892 |
| logSw: | -3.7767 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.195 |
| InChI Key: | JQOXHEJSWIVUOJ-UHFFFAOYSA-N |