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-methoxypropyl)benzamide
Chemical Structure Depiction of
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-methoxypropyl)benzamide
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-methoxypropyl)benzamide
Compound characteristics
| Compound ID: | C685-0094 |
| Compound Name: | 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-methoxypropyl)benzamide |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C16 H21 N3 O4 S2 |
| Smiles: | COCCCNC(c1cccc(c1)NC1=N[C@H]2CS(C[C@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0956 |
| logD: | 1.0955 |
| logSw: | -2.2768 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.21 |
| InChI Key: | DBAVPBCNXJETES-UONOGXRCSA-N |