N-(3-chloro-4-fluorophenyl)-2-(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}phenyl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-(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}phenyl)acetamide
N-(3-chloro-4-fluorophenyl)-2-(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}phenyl)acetamide
Compound characteristics
| Compound ID: | C685-0255 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-(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}phenyl)acetamide |
| Molecular Weight: | 453.94 |
| Molecular Formula: | C19 H17 Cl F N3 O3 S2 |
| Smiles: | C(C(Nc1ccc(c(c1)[Cl])F)=O)c1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0555 |
| logD: | 3.0158 |
| logSw: | -3.5341 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.219 |
| InChI Key: | SPHGHMKQUQWABB-UHFFFAOYSA-N |