rel-(3aR,6aS)-1-(2,5-dimethylphenyl)-3-[(3-methylphenyl)methyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-(2,5-dimethylphenyl)-3-[(3-methylphenyl)methyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-(2,5-dimethylphenyl)-3-[(3-methylphenyl)methyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | G012-0478 |
| Compound Name: | rel-(3aR,6aS)-1-(2,5-dimethylphenyl)-3-[(3-methylphenyl)methyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C21 H24 N2 O3 S |
| Smiles: | Cc1cccc(CN2C(N(c3cc(C)ccc3C)[C@H]3CS(C[C@@H]23)(=O)=O)=O)c1 |
| Stereo: | RELATIVE |
| logP: | 3.5486 |
| logD: | 3.5486 |
| logSw: | -3.7036 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.272 |
| InChI Key: | FGVDVZIJGYPRRA-UHFFFAOYSA-N |