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-[3-(4-methylpiperidin-1-yl)propyl]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-[3-(4-methylpiperidin-1-yl)propyl]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-[3-(4-methylpiperidin-1-yl)propyl]acetamide
Compound characteristics
| Compound ID: | C685-0367 |
| 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-[3-(4-methylpiperidin-1-yl)propyl]acetamide |
| Molecular Weight: | 464.65 |
| Molecular Formula: | C22 H32 N4 O3 S2 |
| Smiles: | CC1CCN(CCCNC(Cc2ccc(cc2)NC2=N[C@@H]3CS(C[C@@H]3S2)(=O)=O)=O)CC1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.522 |
| logD: | -0.9962 |
| logSw: | -2.2979 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.366 |
| InChI Key: | QAFBHKNPZCRVIF-UHFFFAOYSA-N |