N-(3-chloro-4-fluorophenyl)-4-{[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
N-(3-chloro-4-fluorophenyl)-4-{[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
N-(3-chloro-4-fluorophenyl)-4-{[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: | K248-0039 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-4-{[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: | 439.91 |
| Molecular Formula: | C18 H15 Cl F N3 O3 S2 |
| Smiles: | C1[C@@H]2[C@H](CS1(=O)=O)SC(Nc1ccc(cc1)C(Nc1ccc(c(c1)[Cl])F)=O)=N2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1667 |
| logD: | 2.8316 |
| logSw: | -3.7133 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.433 |
| InChI Key: | KGPYOQYGNKLXJR-UHFFFAOYSA-N |