ethyl 4-({4-[6-(morpholin-4-yl)pyridazin-3-yl]piperazine-1-carbothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({4-[6-(morpholin-4-yl)pyridazin-3-yl]piperazine-1-carbothioyl}amino)benzoate
ethyl 4-({4-[6-(morpholin-4-yl)pyridazin-3-yl]piperazine-1-carbothioyl}amino)benzoate
Compound characteristics
| Compound ID: | C637-0284 |
| Compound Name: | ethyl 4-({4-[6-(morpholin-4-yl)pyridazin-3-yl]piperazine-1-carbothioyl}amino)benzoate |
| Molecular Weight: | 456.57 |
| Molecular Formula: | C22 H28 N6 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCN(CC1)c1ccc(nn1)N1CCOCC1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5903 |
| logD: | 3.5855 |
| logSw: | -3.6415 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.182 |
| InChI Key: | IRTWDZSPZJYBJI-UHFFFAOYSA-N |