3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-6-(3-oxo-3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propyl)-1,2,4-triazin-5(2H)-one
3-(3,4-dimethoxyphenyl)-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: | V022-4811 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-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: | 484.55 |
| Molecular Formula: | C24 H32 N6 O5 |
| Smiles: | COc1ccc(cc1OC)C1NN=C(CCC(N2CCN(CC2)CC(N2CCCC2)=O)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2932 |
| logD: | -0.2932 |
| logSw: | -1.91 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.26 |
| InChI Key: | YLHRVASTJMXITO-UHFFFAOYSA-N |