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-(4-methylphenyl)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-(4-methylphenyl)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-(4-methylphenyl)acetamide
Compound characteristics
Compound ID: | C685-0299 |
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-(4-methylphenyl)acetamide |
Molecular Weight: | 415.53 |
Molecular Formula: | C20 H21 N3 O3 S2 |
Smiles: | Cc1ccc(cc1)NC(Cc1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
Stereo: | RELATIVE |
logP: | 2.7488 |
logD: | 2.7487 |
logSw: | -3.2968 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.219 |
InChI Key: | PTSRBJPHPGLLDG-UHFFFAOYSA-N |