ethyl 4-[(10RS)-2,6,8-trioxo-10-(thiophen-2-yl)-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]benzoate
Chemical Structure Depiction of
ethyl 4-[(10RS)-2,6,8-trioxo-10-(thiophen-2-yl)-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]benzoate
ethyl 4-[(10RS)-2,6,8-trioxo-10-(thiophen-2-yl)-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]benzoate
Compound characteristics
| Compound ID: | D426-0467 |
| Compound Name: | ethyl 4-[(10RS)-2,6,8-trioxo-10-(thiophen-2-yl)-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]benzoate |
| Molecular Weight: | 538.66 |
| Molecular Formula: | C26 H22 N2 O5 S3 |
| Smiles: | [H][C@]1(C2C3CC(C4C3C(N(C4=O)c3ccc(cc3)C(=O)OCC)=O)C2SC2=C1SC(N2)=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0274 |
| logD: | 4.0273 |
| logSw: | -4.1736 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.209 |
| InChI Key: | JFRCBERPEGUWKE-BDIFMDRFSA-N |