N-[rel-(2Z,3aR,6aR)-3-(5-chloro-2-methoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
Chemical Structure Depiction of
N-[rel-(2Z,3aR,6aR)-3-(5-chloro-2-methoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
N-[rel-(2Z,3aR,6aR)-3-(5-chloro-2-methoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide
Compound characteristics
| Compound ID: | D128-0586 |
| Compound Name: | N-[rel-(2Z,3aR,6aR)-3-(5-chloro-2-methoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]-3-methylbutanamide |
| Molecular Weight: | 416.94 |
| Molecular Formula: | C17 H21 Cl N2 O4 S2 |
| Smiles: | CC(C)CC(/N=C1/N(c2cc(ccc2OC)[Cl])[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.6026 |
| logD: | 2.6026 |
| logSw: | -3.1479 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.017 |
| InChI Key: | DQJKBNDJRJIZPP-UHFFFAOYSA-N |