N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-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}benzamide
Chemical Structure Depiction of
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-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}benzamide
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-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}benzamide
Compound characteristics
| Compound ID: | K248-0185 |
| Compound Name: | N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-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}benzamide |
| Molecular Weight: | 562.15 |
| Molecular Formula: | C26 H32 Cl N5 O3 S2 |
| Smiles: | Cc1ccc(cc1N1CCN(CCCNC(c2ccc(cc2)NC2=N[C@@H]3CS(C[C@@H]3S2)(=O)=O)=O)CC1)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3111 |
| logD: | 2.1645 |
| logSw: | -3.8861 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.538 |
| InChI Key: | OTNFLVAOXWPZPS-UHFFFAOYSA-N |