ethyl 4-{butyl[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{butyl[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}benzoate
ethyl 4-{butyl[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}benzoate
Compound characteristics
| Compound ID: | C998-1101 |
| Compound Name: | ethyl 4-{butyl[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}benzoate |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C18 H24 N2 O4 S2 |
| Smiles: | CCCCN(C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)c1ccc(cc1)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7243 |
| logD: | 3.7243 |
| logSw: | -3.7747 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.019 |
| InChI Key: | UVYDMKJOTYRMDL-UHFFFAOYSA-N |