N-[rel-(2Z,3aR,6aR)-5,5-dioxo-3-(2-phenylethyl)hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]propanamide
Chemical Structure Depiction of
N-[rel-(2Z,3aR,6aR)-5,5-dioxo-3-(2-phenylethyl)hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]propanamide
N-[rel-(2Z,3aR,6aR)-5,5-dioxo-3-(2-phenylethyl)hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]propanamide
Compound characteristics
Compound ID: | D128-0109 |
Compound Name: | N-[rel-(2Z,3aR,6aR)-5,5-dioxo-3-(2-phenylethyl)hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]propanamide |
Molecular Weight: | 352.47 |
Molecular Formula: | C16 H20 N2 O3 S2 |
Smiles: | CCC(/N=C1/N(CCc2ccccc2)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
Stereo: | RELATIVE |
logP: | 1.8056 |
logD: | 1.8056 |
logSw: | -2.1525 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 54.278 |
InChI Key: | RHFYSGAMOHVKMT-UHFFFAOYSA-N |