N-{rel-(2Z,3aR,6aR)-3-[4-chloro-2-(piperidin-1-yl)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}butanamide
Chemical Structure Depiction of
N-{rel-(2Z,3aR,6aR)-3-[4-chloro-2-(piperidin-1-yl)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}butanamide
N-{rel-(2Z,3aR,6aR)-3-[4-chloro-2-(piperidin-1-yl)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}butanamide
Compound characteristics
| Compound ID: | D128-0053 |
| Compound Name: | N-{rel-(2Z,3aR,6aR)-3-[4-chloro-2-(piperidin-1-yl)phenyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}butanamide |
| Molecular Weight: | 456.02 |
| Molecular Formula: | C20 H26 Cl N3 O3 S2 |
| Smiles: | CCCC(/N=C1/N(c2ccc(cc2N2CCCCC2)[Cl])[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6152 |
| logD: | 3.6152 |
| logSw: | -3.8923 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.539 |
| InChI Key: | AOBWBYQUSAHDSQ-UHFFFAOYSA-N |