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-methoxyphenyl)methyl]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-methoxyphenyl)methyl]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-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C685-0321 |
| 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-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C21 H23 N3 O4 S2 |
| Smiles: | COc1ccccc1CNC(Cc1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2091 |
| logD: | 2.209 |
| logSw: | -2.7717 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.172 |
| InChI Key: | STUNQCNBYWFXHO-UHFFFAOYSA-N |