N-[2-(4-chlorophenyl)ethyl]-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-[2-(4-chlorophenyl)ethyl]-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-[2-(4-chlorophenyl)ethyl]-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: | C685-0560 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-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: | 464 |
| Molecular Formula: | C21 H22 Cl N3 O3 S2 |
| Smiles: | Cc1ccc(cc1NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)C(NCCc1ccc(cc1)[Cl])=O |
| Stereo: | RELATIVE |
| logP: | 3.0012 |
| logD: | 3.0012 |
| logSw: | -3.7227 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.898 |
| InChI Key: | VIVXTOMDADCMML-UHFFFAOYSA-N |