6-[10-(4-chlorophenyl)-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]hexanoic acid
Chemical Structure Depiction of
6-[10-(4-chlorophenyl)-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]hexanoic acid
6-[10-(4-chlorophenyl)-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]hexanoic acid
Compound characteristics
| Compound ID: | D008-0044 |
| Compound Name: | 6-[10-(4-chlorophenyl)-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]hexanoic acid |
| Molecular Weight: | 533.06 |
| Molecular Formula: | C25 H25 Cl N2 O5 S2 |
| Smiles: | C(CCC(O)=O)CCN1C(C2C3CC(C2C1=O)C1C3C(C2=C(NC(=O)S2)S1)c1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4441 |
| logD: | 0.6159 |
| logSw: | -4.2658 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.682 |
| InChI Key: | HWRQZQAOQZKLIC-UHFFFAOYSA-N |