4-{[(2-chlorophenyl)methyl][rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
4-{[(2-chlorophenyl)methyl][rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-(propan-2-yl)benzamide
4-{[(2-chlorophenyl)methyl][rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | C685-0746 |
| Compound Name: | 4-{[(2-chlorophenyl)methyl][rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-(propan-2-yl)benzamide |
| Molecular Weight: | 478.03 |
| Molecular Formula: | C22 H24 Cl N3 O3 S2 |
| Smiles: | CC(C)NC(c1ccc(cc1)N(Cc1ccccc1[Cl])C1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5962 |
| logD: | 3.5962 |
| logSw: | -3.9603 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.674 |
| InChI Key: | NLJGYSSCHGPMGP-UHFFFAOYSA-N |