2-ethyl-N-[rel-(2E,3aR,6aR)-3-(3-methylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]butanamide
Chemical Structure Depiction of
2-ethyl-N-[rel-(2E,3aR,6aR)-3-(3-methylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]butanamide
2-ethyl-N-[rel-(2E,3aR,6aR)-3-(3-methylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]butanamide
Compound characteristics
| Compound ID: | D128-0484 |
| Compound Name: | 2-ethyl-N-[rel-(2E,3aR,6aR)-3-(3-methylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]butanamide |
| Molecular Weight: | 380.53 |
| Molecular Formula: | C18 H24 N2 O3 S2 |
| Smiles: | CCC(CC)C(/N=C1\N(c2cccc(C)c2)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 3.0753 |
| logD: | 3.0753 |
| logSw: | -3.1128 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.901 |
| InChI Key: | OTMHBDCEIHWQHZ-UHFFFAOYSA-N |