6-(4-bromophenyl)-8-(3-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
Chemical Structure Depiction of
6-(4-bromophenyl)-8-(3-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
6-(4-bromophenyl)-8-(3-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione
Compound characteristics
| Compound ID: | 5193-0054 |
| Compound Name: | 6-(4-bromophenyl)-8-(3-nitrophenyl)-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-2,5,7(6H)-trione |
| Molecular Weight: | 518.36 |
| Molecular Formula: | C20 H12 Br N3 O5 S2 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C1C2C(C(N(C2=O)c2ccc(cc2)[Br])=O)SC2=C1SC(N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7981 |
| logD: | 3.7981 |
| logSw: | -4.1897 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.245 |
| InChI Key: | LFODMOSKFXPBHF-UHFFFAOYSA-N |