N-(1,3-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(1,3-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-(1,3-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | Y502-3450 |
| Compound Name: | N-(1,3-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 286.4 |
| Molecular Formula: | C15 H18 N4 S |
| Smiles: | Cc1c(cn(C)n1)NC(N1CCc2ccccc2C1)=S |
| Stereo: | ACHIRAL |
| logP: | 2.3949 |
| logD: | 2.3949 |
| logSw: | -2.2086 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.2628 |
| InChI Key: | ALLSCVGJDCVBOZ-UHFFFAOYSA-N |