4-chloro-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}benzamide
Chemical Structure Depiction of
4-chloro-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}benzamide
4-chloro-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}benzamide
Compound characteristics
| Compound ID: | K248-0127 |
| Compound Name: | 4-chloro-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}benzamide |
| Molecular Weight: | 484.42 |
| Molecular Formula: | C20 H19 Cl2 N3 O3 S2 |
| Smiles: | C(CNC(c1ccc(c(c1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)[Cl])=O)c1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4016 |
| logD: | 3.4016 |
| logSw: | -3.9608 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.898 |
| InChI Key: | XIWFNHJYTASWRG-UHFFFAOYSA-N |