N-benzyl-4-[4-cyano-1-(propan-2-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carbothioamide
Chemical Structure Depiction of
N-benzyl-4-[4-cyano-1-(propan-2-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carbothioamide
N-benzyl-4-[4-cyano-1-(propan-2-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 4576-0149 |
| Compound Name: | N-benzyl-4-[4-cyano-1-(propan-2-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazine-1-carbothioamide |
| Molecular Weight: | 433.62 |
| Molecular Formula: | C25 H31 N5 S |
| Smiles: | CC(C)c1c2CCCCc2c(C#N)c(n1)N1CCN(CC1)C(NCc1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.8304 |
| logD: | 5.8301 |
| logSw: | -5.6645 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.015 |
| InChI Key: | VDTVSDUUWKADAX-UHFFFAOYSA-N |