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}-N-{3-[ethyl(3-methylphenyl)amino]propyl}benzamide
Chemical Structure Depiction of
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}-N-{3-[ethyl(3-methylphenyl)amino]propyl}benzamide
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}-N-{3-[ethyl(3-methylphenyl)amino]propyl}benzamide
Compound characteristics
| Compound ID: | K248-0083 |
| Compound Name: | 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}-N-{3-[ethyl(3-methylphenyl)amino]propyl}benzamide |
| Molecular Weight: | 486.65 |
| Molecular Formula: | C24 H30 N4 O3 S2 |
| Smiles: | CCN(CCCNC(c1ccc(cc1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O)c1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2512 |
| logD: | 3.2228 |
| logSw: | -3.431 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.586 |
| InChI Key: | QXENWETXPURUAR-UHFFFAOYSA-N |