rel-(3aR,6aR)-2-[butyl(3-methylphenyl)amino]-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Chemical Structure Depiction of
rel-(3aR,6aR)-2-[butyl(3-methylphenyl)amino]-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
rel-(3aR,6aR)-2-[butyl(3-methylphenyl)amino]-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Compound characteristics
| Compound ID: | C998-0293 |
| Compound Name: | rel-(3aR,6aR)-2-[butyl(3-methylphenyl)amino]-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 338.49 |
| Molecular Formula: | C16 H22 N2 O2 S2 |
| Smiles: | CCCCN(C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)c1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5962 |
| logD: | 3.5962 |
| logSw: | -3.5502 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.265 |
| InChI Key: | DCDIODZBJKXDCC-UHFFFAOYSA-N |