rel-(3aR,6aS)-1-[2-(azepan-1-yl)-2-oxoethyl]-3-(3-chloro-4-methylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Chemical Structure Depiction of
rel-(3aR,6aS)-1-[2-(azepan-1-yl)-2-oxoethyl]-3-(3-chloro-4-methylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
rel-(3aR,6aS)-1-[2-(azepan-1-yl)-2-oxoethyl]-3-(3-chloro-4-methylphenyl)tetrahydro-5lambda~6~-thieno[3,4-d]imidazole-2,5,5(1H,3H)-trione
Compound characteristics
| Compound ID: | C200-4834 |
| Compound Name: | rel-(3aR,6aS)-1-[2-(azepan-1-yl)-2-oxoethyl]-3-(3-chloro-4-methylphenyl)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: | Cc1ccc(cc1[Cl])N1C(N(CC(N2CCCCCC2)=O)[C@@H]2CS(C[C@H]12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3358 |
| logD: | 2.3358 |
| logSw: | -3.1103 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.297 |
| InChI Key: | FHKQKBGTHHKNBN-UHFFFAOYSA-N |