3-{4-[(2-fluorophenyl)methoxy]phenyl}-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-[(2-fluorophenyl)methoxy]phenyl}-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-[(2-fluorophenyl)methoxy]phenyl}-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: | V025-2255 |
| Compound Name: | 3-{4-[(2-fluorophenyl)methoxy]phenyl}-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: | 548.62 |
| Molecular Formula: | C29 H33 F N6 O4 |
| Smiles: | C1CCN(C1)C(CN1CCN(CC1)C(CCC1C(N=C(c2ccc(cc2)OCc2ccccc2F)NN=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6495 |
| logD: | 0.7082 |
| logSw: | -2.1621 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.227 |
| InChI Key: | WLMQMIWEKQKOJA-UHFFFAOYSA-N |