methyl (4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl](propyl)amino}phenyl)acetate
Chemical Structure Depiction of
methyl (4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl](propyl)amino}phenyl)acetate
methyl (4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl](propyl)amino}phenyl)acetate
Compound characteristics
| Compound ID: | C998-1142 |
| Compound Name: | methyl (4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl](propyl)amino}phenyl)acetate |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C17 H22 N2 O4 S2 |
| Smiles: | CCCN(C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)c1ccc(CC(=O)OC)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2513 |
| logD: | 2.2513 |
| logSw: | -2.4807 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.844 |
| InChI Key: | BVTITQKHOOWZGU-UHFFFAOYSA-N |