N-(1-benzylpiperidin-4-yl)-4-chloro-3-{[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-(1-benzylpiperidin-4-yl)-4-chloro-3-{[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-(1-benzylpiperidin-4-yl)-4-chloro-3-{[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: | K248-0136 |
| Compound Name: | N-(1-benzylpiperidin-4-yl)-4-chloro-3-{[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: | 519.08 |
| Molecular Formula: | C24 H27 Cl N4 O3 S2 |
| Smiles: | C1CN(CCC1NC(c1ccc(c(c1)NC1=N[C@@H]2CS(C[C@@H]2S1)(=O)=O)[Cl])=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1099 |
| logD: | 1.6647 |
| logSw: | -3.6554 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.323 |
| InChI Key: | GOKNIICAPINIAX-FCHUYYIVSA-N |