7-(4-chlorophenyl)-10-(4-methylphenyl)-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-methylphenyl)-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-methylphenyl)-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: | D008-0110 |
| Compound Name: | 7-(4-chlorophenyl)-10-(4-methylphenyl)-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: | 509.04 |
| Molecular Formula: | C26 H21 Cl N2 O3 S2 |
| Smiles: | Cc1ccc(cc1)C1C2C3CC(C4C3C(N(C4=O)c3ccc(cc3)[Cl])=O)C2SC2=C1SC(N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8145 |
| logD: | 4.8145 |
| logSw: | -5.1691 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.436 |
| InChI Key: | HNAPUIPCBWCCQO-UHFFFAOYSA-N |