N-[2-(3,4-dimethoxyphenyl)ethyl]-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-methylbenzamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-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-methylbenzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-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-methylbenzamide
Compound characteristics
| Compound ID: | C685-0552 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-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-methylbenzamide |
| Molecular Weight: | 489.61 |
| Molecular Formula: | C23 H27 N3 O5 S2 |
| Smiles: | Cc1ccc(cc1NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)C(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9236 |
| logD: | 1.9235 |
| logSw: | -2.723 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.159 |
| InChI Key: | ULQFLJWRKYJVDP-UHFFFAOYSA-N |