N-[rel-(2E,3aR,6aR)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
Chemical Structure Depiction of
N-[rel-(2E,3aR,6aR)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
N-[rel-(2E,3aR,6aR)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
Compound characteristics
| Compound ID: | D128-0589 |
| Compound Name: | N-[rel-(2E,3aR,6aR)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide |
| Molecular Weight: | 410.51 |
| Molecular Formula: | C18 H22 N2 O5 S2 |
| Smiles: | CC(C)CC(/N=C1\N(c2ccc3c(c2)OCCO3)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2422 |
| logD: | 1.2422 |
| logSw: | -2.3575 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.511 |
| InChI Key: | MYTDBRTWSHBGAG-UHFFFAOYSA-N |