N-[rel-(2Z,3aR,6aR)-3-(2-bromo-4,5-diethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]propanamide
Chemical Structure Depiction of
N-[rel-(2Z,3aR,6aR)-3-(2-bromo-4,5-diethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]propanamide
N-[rel-(2Z,3aR,6aR)-3-(2-bromo-4,5-diethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]propanamide
Compound characteristics
| Compound ID: | D128-0081 |
| Compound Name: | N-[rel-(2Z,3aR,6aR)-3-(2-bromo-4,5-diethoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]propanamide |
| Molecular Weight: | 491.42 |
| Molecular Formula: | C18 H23 Br N2 O5 S2 |
| Smiles: | CCC(/N=C1/N(c2cc(c(cc2[Br])OCC)OCC)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0342 |
| logD: | 2.0342 |
| logSw: | -2.3123 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.808 |
| InChI Key: | CQEPHVYUIWDDNW-UHFFFAOYSA-N |