rel-(3aR,6aS)-1-(4-chlorophenyl)-3-(3-methoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-(4-chlorophenyl)-3-(3-methoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-(4-chlorophenyl)-3-(3-methoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | D110-0033 |
| Compound Name: | rel-(3aR,6aS)-1-(4-chlorophenyl)-3-(3-methoxyphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 392.86 |
| Molecular Formula: | C18 H17 Cl N2 O4 S |
| Smiles: | COc1cccc(c1)N1C(N(c2ccc(cc2)[Cl])[C@H]2CS(C[C@@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.605 |
| logD: | 2.605 |
| logSw: | -3.1994 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.505 |
| InChI Key: | AVOVBEHIBDUZMR-UHFFFAOYSA-N |