4-chloro-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}-N-[(4-fluorophenyl)methyl]benzamide
Chemical Structure Depiction of
4-chloro-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}-N-[(4-fluorophenyl)methyl]benzamide
4-chloro-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}-N-[(4-fluorophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | K248-0105 |
| Compound Name: | 4-chloro-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}-N-[(4-fluorophenyl)methyl]benzamide |
| Molecular Weight: | 453.94 |
| Molecular Formula: | C19 H17 Cl F N3 O3 S2 |
| Smiles: | C(c1ccc(cc1)F)NC(c1ccc(c(c1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9024 |
| logD: | 2.9018 |
| logSw: | -3.6123 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.057 |
| InChI Key: | SORZDVCZIMMAQC-UHFFFAOYSA-N |