ethyl 4-{[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetyl}piperazine-1-carboxylate
ethyl 4-{[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C656-0468 |
| Compound Name: | ethyl 4-{[3-(3-chlorophenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetyl}piperazine-1-carboxylate |
| Molecular Weight: | 445.86 |
| Molecular Formula: | C19 H20 Cl N7 O4 |
| Smiles: | CCOC(N1CCN(CC1)C(CN1C=Nc2c(C1=O)nnn2c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0152 |
| logD: | 1.0152 |
| logSw: | -2.4785 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 92.331 |
| InChI Key: | JMCHYEXDXKRTCO-UHFFFAOYSA-N |