rel-(3aR,6aS)-1-[3-(methylsulfanyl)phenyl]-3-[(3-nitrophenyl)methyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-[3-(methylsulfanyl)phenyl]-3-[(3-nitrophenyl)methyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-[3-(methylsulfanyl)phenyl]-3-[(3-nitrophenyl)methyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | C200-4653 |
| Compound Name: | rel-(3aR,6aS)-1-[3-(methylsulfanyl)phenyl]-3-[(3-nitrophenyl)methyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 433.5 |
| Molecular Formula: | C19 H19 N3 O5 S2 |
| Smiles: | CSc1cccc(c1)N1C(N(Cc2cccc(c2)[N+]([O-])=O)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.1626 |
| logD: | 2.1626 |
| logSw: | -2.6285 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.955 |
| InChI Key: | KLITXINRIQOBQE-UHFFFAOYSA-N |