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}-N-(4-fluorophenyl)benzamide
Chemical Structure Depiction of
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}-N-(4-fluorophenyl)benzamide
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}-N-(4-fluorophenyl)benzamide
Compound characteristics
Compound ID: | K248-0041 |
Compound Name: | 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}-N-(4-fluorophenyl)benzamide |
Molecular Weight: | 405.47 |
Molecular Formula: | C18 H16 F N3 O3 S2 |
Smiles: | C1[C@@H]2[C@H](CS1(=O)=O)SC(Nc1ccc(cc1)C(Nc1ccc(cc1)F)=O)=N2 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 2.4656 |
logD: | 2.4589 |
logSw: | -2.9388 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.433 |
InChI Key: | AEIIZSMISCUFID-CVEARBPZSA-N |