ethyl [10-(3,4-dimethoxyphenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]acetate
Chemical Structure Depiction of
ethyl [10-(3,4-dimethoxyphenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]acetate
ethyl [10-(3,4-dimethoxyphenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]acetate
Compound characteristics
| Compound ID: | G857-1228 |
| Compound Name: | ethyl [10-(3,4-dimethoxyphenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]acetate |
| Molecular Weight: | 530.62 |
| Molecular Formula: | C25 H26 N2 O7 S2 |
| Smiles: | CCOC(CN1C(C2C3CC(C2C1=O)C1C3C(C2=C(NC(=O)S2)S1)c1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3326 |
| logD: | 2.3326 |
| logSw: | -3.0383 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.739 |
| InChI Key: | ILIWIHNLKASJOV-UHFFFAOYSA-N |