N-(3-chlorophenyl)-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-(propan-2-yl)phenyl]glycinamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-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-(propan-2-yl)phenyl]glycinamide
N-(3-chlorophenyl)-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-(propan-2-yl)phenyl]glycinamide
Compound characteristics
| Compound ID: | C998-0555 |
| Compound Name: | N-(3-chlorophenyl)-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-(propan-2-yl)phenyl]glycinamide |
| Molecular Weight: | 478.03 |
| Molecular Formula: | C22 H24 Cl N3 O3 S2 |
| Smiles: | CC(C)c1ccc(cc1)N(CC(Nc1cccc(c1)[Cl])=O)C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.959 |
| logD: | 4.9587 |
| logSw: | -5.0899 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.165 |
| InChI Key: | VDKZVYOSMCPQTB-UHFFFAOYSA-N |