7-(4-chlorophenyl)-10-(4-methoxyphenyl)-3,4a,5,5a,8a,9,9a,10-octahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(7H)-trione
Chemical Structure Depiction of
7-(4-chlorophenyl)-10-(4-methoxyphenyl)-3,4a,5,5a,8a,9,9a,10-octahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(7H)-trione
7-(4-chlorophenyl)-10-(4-methoxyphenyl)-3,4a,5,5a,8a,9,9a,10-octahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(7H)-trione
Compound characteristics
| Compound ID: | D008-0066 |
| Compound Name: | 7-(4-chlorophenyl)-10-(4-methoxyphenyl)-3,4a,5,5a,8a,9,9a,10-octahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(7H)-trione |
| Molecular Weight: | 525.04 |
| Molecular Formula: | C26 H21 Cl N2 O4 S2 |
| Smiles: | COc1ccc(cc1)C1C2C3CC(C4C3C(N(C4=O)c3ccc(cc3)[Cl])=O)C2SC2=C1SC(N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3735 |
| logD: | 4.3735 |
| logSw: | -4.8752 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.98 |
| InChI Key: | WXYLWLJAXWRNRI-UHFFFAOYSA-N |