N-[rel-(2Z,3aR,6aR)-3-(2,4-dimethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
Chemical Structure Depiction of
N-[rel-(2Z,3aR,6aR)-3-(2,4-dimethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
N-[rel-(2Z,3aR,6aR)-3-(2,4-dimethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
Compound characteristics
| Compound ID: | D128-0593 |
| Compound Name: | N-[rel-(2Z,3aR,6aR)-3-(2,4-dimethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C18 H24 N2 O5 S2 |
| Smiles: | CC(C)CC(/N=C1/N(c2ccc(cc2OC)OC)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2627 |
| logD: | 2.2627 |
| logSw: | -2.903 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.561 |
| InChI Key: | NCRUEMQVGGFUTO-UHFFFAOYSA-N |