ethyl 4-{[4-(2-methyl-6-propylpyrimidin-4-yl)piperazine-1-carbothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[4-(2-methyl-6-propylpyrimidin-4-yl)piperazine-1-carbothioyl]amino}benzoate
ethyl 4-{[4-(2-methyl-6-propylpyrimidin-4-yl)piperazine-1-carbothioyl]amino}benzoate
Compound characteristics
| Compound ID: | 8017-9755 |
| Compound Name: | ethyl 4-{[4-(2-methyl-6-propylpyrimidin-4-yl)piperazine-1-carbothioyl]amino}benzoate |
| Molecular Weight: | 427.57 |
| Molecular Formula: | C22 H29 N5 O2 S |
| Smiles: | CCCc1cc(nc(C)n1)N1CCN(CC1)C(Nc1ccc(cc1)C(=O)OCC)=S |
| Stereo: | ACHIRAL |
| logP: | 5.2449 |
| logD: | 5.2083 |
| logSw: | -5.0228 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.293 |
| InChI Key: | SDASFHXLRCDLHR-UHFFFAOYSA-N |