4-[(10RS)-10-(2-hydroxyphenyl)-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]butanoic acid
Chemical Structure Depiction of
4-[(10RS)-10-(2-hydroxyphenyl)-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]butanoic acid
4-[(10RS)-10-(2-hydroxyphenyl)-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]butanoic acid
Compound characteristics
| Compound ID: | D426-1116 |
| Compound Name: | 4-[(10RS)-10-(2-hydroxyphenyl)-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]butanoic acid |
| Molecular Weight: | 486.56 |
| Molecular Formula: | C23 H22 N2 O6 S2 |
| Smiles: | [H][C@]1(C2C3CC(C4C3C(N(CCCC(O)=O)C4=O)=O)C2SC2=C1SC(N2)=O)c1ccccc1O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6191 |
| logD: | -1.1945 |
| logSw: | -2.1831 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.23 |
| InChI Key: | XHRMWFBTRXUYBH-LASNDGPTSA-N |