3-[10-(4-methoxyphenyl)-3-methyl-6,8-dioxo-2-sulfanylidene-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]propanoic acid
Chemical Structure Depiction of
3-[10-(4-methoxyphenyl)-3-methyl-6,8-dioxo-2-sulfanylidene-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]propanoic acid
3-[10-(4-methoxyphenyl)-3-methyl-6,8-dioxo-2-sulfanylidene-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]propanoic acid
Compound characteristics
| Compound ID: | 6883-1643 |
| Compound Name: | 3-[10-(4-methoxyphenyl)-3-methyl-6,8-dioxo-2-sulfanylidene-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]propanoic acid |
| Molecular Weight: | 516.66 |
| Molecular Formula: | C24 H24 N2 O5 S3 |
| Smiles: | CN1C2=C(C(C3C4CC(C5C4C(N(CCC(O)=O)C5=O)=O)C3S2)c2ccc(cc2)OC)SC1=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3587 |
| logD: | -0.1739 |
| logSw: | -2.598 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.032 |
| InChI Key: | IQSDPJSZTKVEHJ-UHFFFAOYSA-N |