4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 4576-0129 |
| Compound Name: | 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-(prop-2-en-1-yl)piperazine-1-carbothioamide |
| Molecular Weight: | 417.58 |
| Molecular Formula: | C24 H27 N5 S |
| Smiles: | C=CCNC(N1CCN(CC1)c1c(C#N)c2CCCCc2c(c2ccccc2)n1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.952 |
| logD: | 4.9518 |
| logSw: | -4.9015 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.857 |
| InChI Key: | BKCWRCDJLYXJSS-UHFFFAOYSA-N |