N-(4-chlorophenyl)-2-[(10RS)-10-(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]acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-[(10RS)-10-(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]acetamide
N-(4-chlorophenyl)-2-[(10RS)-10-(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]acetamide
Compound characteristics
| Compound ID: | D426-0028 |
| Compound Name: | N-(4-chlorophenyl)-2-[(10RS)-10-(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]acetamide |
| Molecular Weight: | 542.03 |
| Molecular Formula: | C25 H20 Cl N3 O5 S2 |
| Smiles: | [H][C@]1(C2C3CC(C4C3C(N(CC(Nc3ccc(cc3)[Cl])=O)C4=O)=O)C2SC2=C1SC(N2)=O)c1ccco1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4399 |
| logD: | 3.4397 |
| logSw: | -4.0129 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.776 |
| InChI Key: | NLZOBSTUZGCGQY-HWFZFLRZSA-N |