N-{rel-(2Z,3aR,6aR)-3-[(2-chlorophenyl)methyl]-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-[(2-chlorophenyl)methyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}-3-methylbutanamide
N-{rel-(2Z,3aR,6aR)-3-[(2-chlorophenyl)methyl]-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}-3-methylbutanamide
Compound characteristics
| Compound ID: | D128-0608 |
| Compound Name: | N-{rel-(2Z,3aR,6aR)-3-[(2-chlorophenyl)methyl]-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(Cc2ccccc2[Cl])[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.976 |
| logD: | 2.976 |
| logSw: | -3.3409 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.299 |
| InChI Key: | IASNCRPOIXCFAJ-UHFFFAOYSA-N |