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-[(3-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-[(3-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-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C685-0397 |
| 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-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C21 H23 N3 O4 S2 |
| Smiles: | COc1cccc(CNC(Cc2ccc(cc2)NC2=N[C@H]3CS(C[C@H]3S2)(=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0851 |
| logD: | 2.085 |
| logSw: | -2.9446 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.085 |
| InChI Key: | LOWKAVJRZRGKMC-RBUKOAKNSA-N |