rel-(3aR,6aS)-1-(4-ethylphenyl)-3-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-(4-ethylphenyl)-3-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-(4-ethylphenyl)-3-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | C200-4733 |
| Compound Name: | rel-(3aR,6aS)-1-(4-ethylphenyl)-3-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C24 H27 N3 O5 S |
| Smiles: | CCc1ccc(cc1)N1C(N(CC(N2CCOc3ccc(C)cc23)=O)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4381 |
| logD: | 2.4381 |
| logSw: | -2.7679 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.581 |
| InChI Key: | OXQARDIYTHEGHT-UHFFFAOYSA-N |