N-[rel-(2E,3aR,6aR)-3-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
N-[rel-(2E,3aR,6aR)-3-(3-chloro-4-methylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
Compound characteristics
| Compound ID: | D128-0587 |
| Compound Name: | N-[rel-(2E,3aR,6aR)-3-(3-chloro-4-methylphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide |
| Molecular Weight: | 400.94 |
| Molecular Formula: | C17 H21 Cl N2 O3 S2 |
| Smiles: | CC(C)CC(/N=C1\N(c2ccc(C)c(c2)[Cl])[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4017 |
| logD: | 3.4017 |
| logSw: | -3.5948 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.688 |
| InChI Key: | VNHSCJLCNLMYLP-UHFFFAOYSA-N |