N-[rel-(2E,3aR,6aR)-3-(2-ethylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]butanamide
Chemical Structure Depiction of
N-[rel-(2E,3aR,6aR)-3-(2-ethylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]butanamide
N-[rel-(2E,3aR,6aR)-3-(2-ethylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]butanamide
Compound characteristics
| Compound ID: | D128-0032 |
| Compound Name: | N-[rel-(2E,3aR,6aR)-3-(2-ethylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]butanamide |
| Molecular Weight: | 366.5 |
| Molecular Formula: | C17 H22 N2 O3 S2 |
| Smiles: | CCCC(/N=C1\N(c2ccccc2CC)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8016 |
| logD: | 2.8016 |
| logSw: | -3.2456 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.387 |
| InChI Key: | SXSZGCRYOKYGDB-UHFFFAOYSA-N |