rel-(3aR,6aS)-1-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-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: | C200-4700 |
| Compound Name: | rel-(3aR,6aS)-1-(3,5-dimethylphenyl)-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: | Cc1ccc2c(c1)N(CCO2)C(CN1C(N(c2cc(C)cc(C)c2)[C@H]2CS(C[C@@H]12)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5821 |
| logD: | 2.5821 |
| logSw: | -2.9662 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.581 |
| InChI Key: | BMOXLUCNHCYVPZ-LEWJYISDSA-N |