N-[rel-(2E,3aR,6aR)-3-(3-chloro-4-fluorophenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]acetamide
Chemical Structure Depiction of
N-[rel-(2E,3aR,6aR)-3-(3-chloro-4-fluorophenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]acetamide
N-[rel-(2E,3aR,6aR)-3-(3-chloro-4-fluorophenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]acetamide
Compound characteristics
| Compound ID: | D128-0279 |
| Compound Name: | N-[rel-(2E,3aR,6aR)-3-(3-chloro-4-fluorophenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]acetamide |
| Molecular Weight: | 362.83 |
| Molecular Formula: | C13 H12 Cl F N2 O3 S2 |
| Smiles: | CC(/N=C1\N(c2ccc(c(c2)[Cl])F)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3659 |
| logD: | 1.3659 |
| logSw: | -2.7066 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.8 |
| InChI Key: | MZQOWKNYSMRNTM-UHFFFAOYSA-N |