ethyl 4-[2-(4-ethylanilino)-2-oxoethyl]-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 4-[2-(4-ethylanilino)-2-oxoethyl]-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 4-[2-(4-ethylanilino)-2-oxoethyl]-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D529-0216 |
| Compound Name: | ethyl 4-[2-(4-ethylanilino)-2-oxoethyl]-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C25 H26 F N5 O3 |
| Smiles: | CCc1ccc(cc1)NC(CN1C(C)=C(C(c2ccc(cc2)F)n2c1ncn2)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.673 |
| logD: | 4.673 |
| logSw: | -4.2128 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.124 |
| InChI Key: | RYTSAIDMHTULLP-QHCPKHFHSA-N |