3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide
Chemical Structure Depiction of
3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide
3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | K248-0325 |
| Compound Name: | 3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide |
| Molecular Weight: | 449.61 |
| Molecular Formula: | C20 H23 N3 O3 S3 |
| Smiles: | Cc1ccc(cc1NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)C(NCCc1c(C)ccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8291 |
| logD: | 2.8291 |
| logSw: | -3.3828 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.917 |
| InChI Key: | VQLZRJQLYYIFFA-UHFFFAOYSA-N |