ethyl 4-{[3-(3-methoxyphenyl)-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-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetyl}piperazine-1-carboxylate
ethyl 4-{[3-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C656-0534 |
| Compound Name: | ethyl 4-{[3-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetyl}piperazine-1-carboxylate |
| Molecular Weight: | 441.45 |
| Molecular Formula: | C20 H23 N7 O5 |
| Smiles: | CCOC(N1CCN(CC1)C(CN1C=Nc2c(C1=O)nnn2c1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5396 |
| logD: | 0.5395 |
| logSw: | -1.8111 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 99.875 |
| InChI Key: | SXJCPTSBBFUHQD-UHFFFAOYSA-N |