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-[3-methyl-4-(3-methylphenyl)piperazin-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-[3-methyl-4-(3-methylphenyl)piperazin-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-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}benzamide
Compound characteristics
| Compound ID: | K248-0184 |
| 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-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}benzamide |
| Molecular Weight: | 541.73 |
| Molecular Formula: | C27 H35 N5 O3 S2 |
| Smiles: | CC1CN(CCCNC(c2ccc(cc2)NC2=N[C@@H]3CS(C[C@@H]3S2)(=O)=O)=O)CCN1c1cccc(C)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9329 |
| logD: | 2.4066 |
| logSw: | -3.424 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.058 |
| InChI Key: | GDVHZUOOZSKIQX-UHFFFAOYSA-N |