3-(3-chloro-4-fluorophenyl)-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-chloro-4-fluorophenyl)-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-chloro-4-fluorophenyl)-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: | V022-5196 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-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: | 476.94 |
| Molecular Formula: | C22 H26 Cl F N6 O3 |
| Smiles: | C1CCN(C1)C(CN1CCN(CC1)C(CCC1C(N=C(c2ccc(c(c2)[Cl])F)NN=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6225 |
| logD: | -2.4083 |
| logSw: | -2.7127 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83 |
| InChI Key: | UHXNRXJEIJGQNX-UHFFFAOYSA-N |