3-(4-methylphenyl)-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-(4-methylphenyl)-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-1,2,4-triazin-5(2H)-one
3-(4-methylphenyl)-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V022-0728 |
| Compound Name: | 3-(4-methylphenyl)-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 438.53 |
| Molecular Formula: | C23 H30 N6 O3 |
| Smiles: | Cc1ccc(cc1)C1NN=C(CCC(N2CCN(CC2)CC(N2CCCC2)=O)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5835 |
| logD: | 0.5835 |
| logSw: | -1.8841 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83 |
| InChI Key: | OGKFMBHDWBKKTI-UHFFFAOYSA-N |