{10-[5-(2-chlorophenyl)furan-2-yl]-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}acetic acid
Chemical Structure Depiction of
{10-[5-(2-chlorophenyl)furan-2-yl]-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}acetic acid
{10-[5-(2-chlorophenyl)furan-2-yl]-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}acetic acid
Compound characteristics
| Compound ID: | D008-0017 |
| Compound Name: | {10-[5-(2-chlorophenyl)furan-2-yl]-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}acetic acid |
| Molecular Weight: | 543.02 |
| Molecular Formula: | C25 H19 Cl N2 O6 S2 |
| Smiles: | C1C2C3C(C4=C(NC(=O)S4)SC3C1C1C2C(N(CC(O)=O)C1=O)=O)c1ccc(c2ccccc2[Cl])o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6368 |
| logD: | -1.6863 |
| logSw: | -3.5323 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.103 |
| InChI Key: | AENVTMCWLDRGCO-UHFFFAOYSA-N |