2-(4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}phenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
Chemical Structure Depiction of
2-(4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}phenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
2-(4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}phenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | K248-0226 |
| Compound Name: | 2-(4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}phenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide |
| Molecular Weight: | 449.61 |
| Molecular Formula: | C20 H23 N3 O3 S3 |
| Smiles: | Cc1ccsc1CCNC(Cc1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1851 |
| logD: | 2.185 |
| logSw: | -2.7786 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.401 |
| InChI Key: | FRUXCILCLTZLRG-UHFFFAOYSA-N |