N-[4-(4-chlorophenoxy)phenyl]-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-[4-(4-chlorophenoxy)phenyl]-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-[4-(4-chlorophenoxy)phenyl]-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: | K248-0229 |
| Compound Name: | N-[4-(4-chlorophenoxy)phenyl]-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: | 514.02 |
| Molecular Formula: | C24 H20 Cl N3 O4 S2 |
| Smiles: | C1[C@@H]2[C@H](CS1(=O)=O)SC(Nc1ccc(cc1)C(Nc1ccc(cc1)Oc1ccc(cc1)[Cl])=O)=N2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.7499 |
| logD: | 4.7496 |
| logSw: | -5.1115 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.18 |
| InChI Key: | ZRXPLFBGPKZFKF-UHFFFAOYSA-N |