rel-(3aR,6aR)-2-[(3-methylphenyl)(propyl)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-[(3-methylphenyl)(propyl)amino]-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
rel-(3aR,6aR)-2-[(3-methylphenyl)(propyl)amino]-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione
Compound characteristics
| Compound ID: | C998-0296 |
| Compound Name: | rel-(3aR,6aR)-2-[(3-methylphenyl)(propyl)amino]-3a,4,6,6a-tetrahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione |
| Molecular Weight: | 324.46 |
| Molecular Formula: | C15 H20 N2 O2 S2 |
| Smiles: | CCCN(C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)c1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.122 |
| logD: | 3.1219 |
| logSw: | -3.1213 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.265 |
| InChI Key: | LVZAATFGJWTFJT-UHFFFAOYSA-N |