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-[2-(3-methylphenyl)ethyl]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-[2-(3-methylphenyl)ethyl]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-[2-(3-methylphenyl)ethyl]benzamide
Compound characteristics
| Compound ID: | C685-0175 |
| 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-[2-(3-methylphenyl)ethyl]benzamide |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C21 H23 N3 O3 S2 |
| Smiles: | Cc1cccc(CCNC(c2cccc(c2)NC2=N[C@@H]3CS(C[C@@H]3S2)(=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9274 |
| logD: | 2.9274 |
| logSw: | -3.4476 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.596 |
| InChI Key: | CZANLUOXKZPDEB-UHFFFAOYSA-N |