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)-N-{3-[(propan-2-yl)oxy]propyl}acetamide
Chemical Structure Depiction of
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)-N-{3-[(propan-2-yl)oxy]propyl}acetamide
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)-N-{3-[(propan-2-yl)oxy]propyl}acetamide
Compound characteristics
| Compound ID: | C685-0370 |
| Compound Name: | 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)-N-{3-[(propan-2-yl)oxy]propyl}acetamide |
| Molecular Weight: | 425.57 |
| Molecular Formula: | C19 H27 N3 O4 S2 |
| Smiles: | CC(C)OCCCNC(Cc1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.9953 |
| logD: | 0.9952 |
| logSw: | -2.1784 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.856 |
| InChI Key: | HUNLWHQDAYOPJH-UHFFFAOYSA-N |