N-(3,3-diethoxypropyl)-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-(3,3-diethoxypropyl)-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-(3,3-diethoxypropyl)-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: | C685-0374 |
Compound Name: | N-(3,3-diethoxypropyl)-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: | 455.59 |
Molecular Formula: | C20 H29 N3 O5 S2 |
Smiles: | CCOC(CCNC(Cc1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O)OCC |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 0.8347 |
logD: | 0.8346 |
logSw: | -2.2088 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 86.309 |
InChI Key: | OSNVPTWWHZXOOY-UHFFFAOYSA-N |