N-(4-chlorophenyl)-3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-4-methylbenzamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-4-methylbenzamide
N-(4-chlorophenyl)-3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-4-methylbenzamide
Compound characteristics
| Compound ID: | K248-0304 |
| Compound Name: | N-(4-chlorophenyl)-3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-4-methylbenzamide |
| Molecular Weight: | 435.95 |
| Molecular Formula: | C19 H18 Cl N3 O3 S2 |
| Smiles: | Cc1ccc(cc1NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RELATIVE |
| logP: | 3.4018 |
| logD: | 3.3959 |
| logSw: | -4.0226 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.735 |
| InChI Key: | QVRQOKDBTAAEFC-UHFFFAOYSA-N |