3-({[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl][3-(trifluoromethyl)phenyl]amino}methyl)-4-methoxybenzaldehyde
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][3-(trifluoromethyl)phenyl]amino}methyl)-4-methoxybenzaldehyde
3-({[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl][3-(trifluoromethyl)phenyl]amino}methyl)-4-methoxybenzaldehyde
Compound characteristics
| Compound ID: | K248-0294 |
| 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][3-(trifluoromethyl)phenyl]amino}methyl)-4-methoxybenzaldehyde |
| Molecular Weight: | 484.51 |
| Molecular Formula: | C21 H19 F3 N2 O4 S2 |
| Smiles: | COc1ccc(C=O)cc1CN(C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7189 |
| logD: | 3.7188 |
| logSw: | -4.0947 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.805 |
| InChI Key: | FRLRWBRFBBDZQJ-UHFFFAOYSA-N |