(10RS)-10-(2-methoxyphenyl)-7-(4-nitrophenyl)-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
(10RS)-10-(2-methoxyphenyl)-7-(4-nitrophenyl)-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
(10RS)-10-(2-methoxyphenyl)-7-(4-nitrophenyl)-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: | D426-0537 |
| Compound Name: | (10RS)-10-(2-methoxyphenyl)-7-(4-nitrophenyl)-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: | 535.6 |
| Molecular Formula: | C26 H21 N3 O6 S2 |
| Smiles: | [H][C@]1(C2C3CC(C4C3C(N(C4=O)c3ccc(cc3)[N+]([O-])=O)=O)C2SC2=C1SC(N2)=O)c1ccccc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8589 |
| logD: | 3.8589 |
| logSw: | -4.1379 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.448 |
| InChI Key: | SASMKRFOAOLSTI-NLCJGGIYSA-N |