N~2~-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N~2~-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]glycinamide
Chemical Structure Depiction of
N~2~-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N~2~-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]glycinamide
N~2~-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N~2~-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]glycinamide
Compound characteristics
| Compound ID: | C998-0423 |
| Compound Name: | N~2~-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N~2~-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]glycinamide |
| Molecular Weight: | 499.53 |
| Molecular Formula: | C21 H20 F3 N3 O4 S2 |
| Smiles: | COc1cccc(c1)N(CC(Nc1cccc(c1)C(F)(F)F)=O)C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0493 |
| logD: | 4.0484 |
| logSw: | -4.2207 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.708 |
| InChI Key: | PTFDDYAMXVRQAM-UHFFFAOYSA-N |