3-(4-chlorophenyl)-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,2,4-triazin-5(2H)-one
3-(4-chlorophenyl)-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V022-8816 |
| Compound Name: | 3-(4-chlorophenyl)-6-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 332.79 |
| Molecular Formula: | C16 H17 Cl N4 O2 |
| Smiles: | C1CCN(C1)C(CCC1C(N=C(c2ccc(cc2)[Cl])NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8853 |
| logD: | -0.2498 |
| logSw: | -2.9617 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.067 |
| InChI Key: | YZTRCACPCKDHRE-UHFFFAOYSA-N |