rel-(3aR,6aS)-1-(3-chloro-4-methylphenyl)-3-[2-(4-methylpiperidin-1-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-(3-chloro-4-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-(3-chloro-4-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | C200-4836 |
| Compound Name: | rel-(3aR,6aS)-1-(3-chloro-4-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione |
| Molecular Weight: | 439.96 |
| Molecular Formula: | C20 H26 Cl N3 O4 S |
| Smiles: | CC1CCN(CC1)C(CN1C(N(c2ccc(C)c(c2)[Cl])[C@H]2CS(C[C@@H]12)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1703 |
| logD: | 2.1703 |
| logSw: | -3.0129 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.965 |
| InChI Key: | AVXGPUGXTFBQJK-UHFFFAOYSA-N |