4-chloro-3-{[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-(3-ethoxypropyl)benzamide
Chemical Structure Depiction of
4-chloro-3-{[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-(3-ethoxypropyl)benzamide
4-chloro-3-{[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-(3-ethoxypropyl)benzamide
Compound characteristics
| Compound ID: | K248-0117 |
| Compound Name: | 4-chloro-3-{[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-(3-ethoxypropyl)benzamide |
| Molecular Weight: | 431.96 |
| Molecular Formula: | C17 H22 Cl N3 O4 S2 |
| Smiles: | CCOCCCNC(c1ccc(c(c1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8694 |
| logD: | 1.8693 |
| logSw: | -2.9733 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.147 |
| InChI Key: | IHYJPXLAUOCVSQ-UHFFFAOYSA-N |