ethyl 4-{[7-(4-chlorophenyl)-5-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]acetyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[7-(4-chlorophenyl)-5-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]acetyl}piperazine-1-carboxylate
ethyl 4-{[7-(4-chlorophenyl)-5-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]acetyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | D530-0909 |
| Compound Name: | ethyl 4-{[7-(4-chlorophenyl)-5-phenyltetrazolo[1,5-a]pyrimidin-4(7H)-yl]acetyl}piperazine-1-carboxylate |
| Molecular Weight: | 507.98 |
| Molecular Formula: | C25 H26 Cl N7 O3 |
| Smiles: | CCOC(N1CCN(CC1)C(CN1C(=CC(c2ccc(cc2)[Cl])n2c1nnn2)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.599 |
| logD: | 3.599 |
| logSw: | -4.1066 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 79.769 |
| InChI Key: | LBRDNBNBNAIQJC-QFIPXVFZSA-N |