N-(2,5-dimethoxyphenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide
N-(2,5-dimethoxyphenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y600-1229 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide |
| Molecular Weight: | 359.45 |
| Molecular Formula: | C17 H21 N5 O2 S |
| Smiles: | COc1ccc(c(c1)NC(N1CCN(CC1)c1ncccn1)=S)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0531 |
| logD: | 3.053 |
| logSw: | -3.4147 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.236 |
| InChI Key: | SKZHPPNCYRRVPM-UHFFFAOYSA-N |