rel-(3aR,6aS)-1-(4-fluorophenyl)-3-(3-nitrophenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-(4-fluorophenyl)-3-(3-nitrophenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-(4-fluorophenyl)-3-(3-nitrophenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | D110-0074 |
| Compound Name: | rel-(3aR,6aS)-1-(4-fluorophenyl)-3-(3-nitrophenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 391.38 |
| Molecular Formula: | C17 H14 F N3 O5 S |
| Smiles: | C1[C@@H]2[C@H](CS1(=O)=O)N(C(N2c1ccc(cc1)F)=O)c1cccc(c1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7507 |
| logD: | 1.7507 |
| logSw: | -2.4066 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.343 |
| InChI Key: | GJVUBMUXHMJHEK-UHFFFAOYSA-N |