N-(5-chloro-2-methoxyphenyl)-N~2~-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N~2~-(4-methoxyphenyl)glycinamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-N~2~-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N~2~-(4-methoxyphenyl)glycinamide
N-(5-chloro-2-methoxyphenyl)-N~2~-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N~2~-(4-methoxyphenyl)glycinamide
Compound characteristics
| Compound ID: | C998-0383 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-N~2~-[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]-N~2~-(4-methoxyphenyl)glycinamide |
| Molecular Weight: | 496 |
| Molecular Formula: | C21 H22 Cl N3 O5 S2 |
| Smiles: | COc1ccc(cc1)N(CC(Nc1cc(ccc1OC)[Cl])=O)C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1025 |
| logD: | 3.0957 |
| logSw: | -3.5577 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.641 |
| InChI Key: | XRQBTPCLPZEKRF-UHFFFAOYSA-N |