3-(3-chlorophenyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
3-(3-chlorophenyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-(3-chlorophenyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | C656-0467 |
| Compound Name: | 3-(3-chlorophenyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 449.9 |
| Molecular Formula: | C22 H20 Cl N7 O2 |
| Smiles: | C1CN(CCN1C(CN1C=Nc2c(C1=O)nnn2c1cccc(c1)[Cl])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1127 |
| logD: | 2.1126 |
| logSw: | -2.909 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.811 |
| InChI Key: | SSUNPTHCFREUMS-UHFFFAOYSA-N |