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-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | K248-0148 |
| 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-(4-methylpiperazin-1-yl)propyl]benzamide |
| Molecular Weight: | 451.61 |
| Molecular Formula: | C20 H29 N5 O3 S2 |
| Smiles: | CN1CCN(CCCNC(c2ccc(cc2)NC2=N[C@@H]3CS(C[C@@H]3S2)(=O)=O)=O)CC1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2112 |
| logD: | -0.9391 |
| logSw: | -2.2086 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.055 |
| InChI Key: | OCXUJYAQWNRPTG-ZWKOTPCHSA-N |